(4-nitrophenyl)methyl N-[1-(4-indazol-2-yl-3-phenyl-butyl)piperidin-4-yl]-N-prop-2-enyl-carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[1-(4-indazol-2-yl-3-phenyl-butyl)piperidin-4-yl]-N-prop-2-enyl-carbamate Openeye Name: (4-nitrophenyl)methyl N-allyl-N-[1-(4-indazol-2-yl-3-phenyl-butyl)-4-piperidyl]carbamate CAS Name: N-[1-[4-(2-indazolyl)-3-phenylbutyl]-4-piperidinyl]-N-prop-2-enylcarbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[1-(4-indazol-2-yl-3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylcarbamate Traditional Name: N-allyl-N-[1-(4-indazol-2-yl-3-phenyl-butyl)-4-piperidyl]carbamic acid (4-nitrobenzyl) ester Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCN(CC1)CCC(CN2C=C3C=CC=CC3=N2)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C=CCN(C1CCN(CC1)CCC(CN2C=C3C=CC=CC3=N2)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H37N5O4/c1-2-19-37(33(39)42-25-26-12-14-31(15-13-26)38(40)41)30-17-21-35(22-18-30)20-16-28(27-8-4-3-5-9-27)23-36-24-29-10-6-7-11-32(29)34-36/h2-15,24,28,30H,1,16-23,25H2