[2-azanyl-3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-ethyl-1-pyrimidin-4-ylcarbonyl-piperidin-4-yl]carbamic acid

Systemtic Name: [2-azanyl-3-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-2-ethyl-1-pyrimidin-4-ylcarbonyl-piperidin-4-yl]carbamic acid Openeye Name: [2-amino-3-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-2-ethyl-1-(pyrimidine-4-carbonyl)-4-piperidyl]carbamic acid CAS Name: [2-amino-3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-2-ethyl-1-[oxo(4-pyrimidinyl)methyl]-4-piperidinyl]carbamic acid IUPAC Name: [2-amino-3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-2-ethyl-1-(pyrimidine-4-carbonyl)piperidin-4-yl]carbamic acid Traditional Name: [2-amino-3-[4-(5-chloro-2-methoxy-phenyl)piperazino]-2-ethyl-1-(pyrimidine-4-carbonyl)-4-piperidyl]carbamic acid Formula: C24H32ClN7O4 MolecularWeight: 518.00838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1C(=O)C2=NC=NC=C2)NC(=O)O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)OC)N

Isomeric SMILES

CCC1(C(C(CCN1C(=O)C2=NC=NC=C2)NC(=O)O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)OC)N

InChI

InChI=1S/C24H32ClN7O4/c1-3-24(26)21(31-12-10-30(11-13-31)19-14-16(25)4-5-20(19)36-2)17(29-23(34)35)7-9-32(24)22(33)18-6-8-27-15-28-18/h4-6,8,14-15,17,21,29H,3,7,9-13,26H2,1-2H3,(H,34,35)