1-[4-[4-[(7-methoxy-1H-isoquinolin-2-yl)carbonyl]phenyl]piperazin-1-yl]-2-methyl-3-(4-methylcyclohexyl)guanidine

Systemtic Name: 1-[4-[4-[(7-methoxy-1H-isoquinolin-2-yl)carbonyl]phenyl]piperazin-1-yl]-2-methyl-3-(4-methylcyclohexyl)guanidine Openeye Name: 1-[4-[4-(7-methoxy-1H-isoquinoline-2-carbonyl)phenyl]piperazin-1-yl]-2-methyl-3-(4-methylcyclohexyl)guanidine CAS Name: 1-[4-[4-[(7-methoxy-1H-isoquinolin-2-yl)-oxomethyl]phenyl]-1-piperazinyl]-2-methyl-3-(4-methylcyclohexyl)guanidine IUPAC Name: 1-[4-[4-(7-methoxy-1H-isoquinoline-2-carbonyl)phenyl]piperazin-1-yl]-2-methyl-3-(4-methylcyclohexyl)guanidine Traditional Name: 1-[4-[4-(7-methoxy-1H-isoquinoline-2-carbonyl)phenyl]piperazino]-2-methyl-3-(4-methylcyclohexyl)guanidine Formula: C30H40N6O2 MolecularWeight: 516.6776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=NC)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CC5=C(C=CC(=C5)OC)C=C4

Isomeric SMILES

CC1CCC(CC1)NC(=NC)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CC5=C(C=CC(=C5)OC)C=C4

InChI

InChI=1S/C30H40N6O2/c1-22-4-9-26(10-5-22)32-30(31-2)33-36-18-16-34(17-19-36)27-11-6-24(7-12-27)29(37)35-15-14-23-8-13-28(38-3)20-25(23)21-35/h6-8,11-15,20,22,26H,4-5,9-10,16-19,21H2,1-3H3,(H2,31,32,33)