N-[2-[4-[5-[4-[(4-acetamidophenyl)methoxy]-2,3-bis(chloranyl)phenyl]-2-methyl-pyrazol-3-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2-[bis(azanyl)methylideneamino]-4-methyl-pentanamide

Systemtic Name: N-[2-[4-[5-[4-[(4-acetamidophenyl)methoxy]-2,3-bis(chloranyl)phenyl]-2-methyl-pyrazol-3-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2-[bis(azanyl)methylideneamino]-4-methyl-pentanamide Openeye Name: N-[2-[4-[5-[4-[(4-acetamidophenyl)methoxy]-2,3-dichloro-phenyl]-2-methyl-pyrazol-3-yl]-1-piperidyl]-2-oxo-ethyl]-2-guanidino-4-methyl-pentanamide CAS Name: N-[2-[4-[5-[4-[(4-acetamidophenyl)methoxy]-2,3-dichlorophenyl]-2-methyl-3-pyrazolyl]-1-piperidinyl]-2-oxoethyl]-2-(diaminomethylideneamino)-4-methylpentanamide IUPAC Name: N-[2-[4-[5-[4-[(4-acetamidophenyl)methoxy]-2,3-dichlorophenyl]-2-methylpyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]-2-(diaminomethylideneamino)-4-methylpentanamide Traditional Name: N-[2-[4-[5-[4-(4-acetamidobenzyl)oxy-2,3-dichloro-phenyl]-2-methyl-pyrazol-3-yl]piperidino]-2-keto-ethyl]-2-guanidino-4-methyl-valeramide Formula: C33H42Cl2N8O4 MolecularWeight: 685.64378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=C(C=C4)NC(=O)C)Cl)Cl)N=C(N)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)N1CCC(CC1)C2=CC(=NN2C)C3=C(C(=C(C=C3)OCC4=CC=C(C=C4)NC(=O)C)Cl)Cl)N=C(N)N

InChI

InChI=1S/C33H42Cl2N8O4/c1-19(2)15-26(40-33(36)37)32(46)38-17-29(45)43-13-11-22(12-14-43)27-16-25(41-42(27)4)24-9-10-28(31(35)30(24)34)47-18-21-5-7-23(8-6-21)39-20(3)44/h5-10,16,19,22,26H,11-15,17-18H2,1-4H3,(H,38,46)(H,39,44)(H4,36,37,40)