1-[4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)carbonyl]phenyl]-2-methyl-3-[4-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazin-1-yl]guanidine

Systemtic Name: 1-[4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)carbonyl]phenyl]-2-methyl-3-[4-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazin-1-yl]guanidine Openeye Name: 1-[4-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenyl]-2-methyl-3-[4-(2,6,6-trimethylnorpinan-3-yl)piperazin-1-yl]guanidine CAS Name: 1-[4-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-oxomethyl]phenyl]-2-methyl-3-[4-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-1-piperazinyl]guanidine IUPAC Name: 1-[4-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenyl]-2-methyl-3-[4-(4,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazin-1-yl]guanidine Traditional Name: 1-[4-(7-methoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenyl]-2-methyl-3-[4-(2,6,6-trimethylnorpinan-3-yl)piperazino]guanidine Formula: C34H48N6O2 MolecularWeight: 572.78392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1N3CCN(CC3)NC(=NC)NC4=CC=C(C=C4)C(=O)N5CCC6=C(CC5)C=C(C=C6)OC

Isomeric SMILES

CC1C2CC(C2(C)C)CC1N3CCN(CC3)NC(=NC)NC4=CC=C(C=C4)C(=O)N5CCC6=C(CC5)C=C(C=C6)OC

InChI

InChI=1S/C34H48N6O2/c1-23-30-21-27(34(30,2)3)22-31(23)38-16-18-40(19-17-38)37-33(35-4)36-28-9-6-25(7-10-28)32(41)39-14-12-24-8-11-29(42-5)20-26(24)13-15-39/h6-11,20,23,27,30-31H,12-19,21-22H2,1-5H3,(H2,35,36,37)