1-[4-[(7-bromanyl-1H-isoquinolin-2-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-bromanyl-1H-isoquinolin-2-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-bromo-1H-isoquinoline-2-carbonyl)phenyl]-2-methyl-3-[4-(2,6,6-trimethylnorpinan-3-yl)piperazin-1-yl]guanidine CAS Name: 1-[4-[(7-bromo-1H-isoquinolin-2-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-bromo-1H-isoquinoline-2-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-bromo-1H-isoquinoline-2-carbonyl)phenyl]-2-methyl-3-[4-(2,6,6-trimethylnorpinan-3-yl)piperazino]guanidine Formula: C32H41BrN6O MolecularWeight: 605.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2CC(C2(C)C)CC1N3CCN(CC3)NC(=NC)NC4=CC=C(C=C4)C(=O)N5CC6=C(C=CC(=C6)Br)C=C5

Isomeric SMILES

CC1C2CC(C2(C)C)CC1N3CCN(CC3)NC(=NC)NC4=CC=C(C=C4)C(=O)N5CC6=C(C=CC(=C6)Br)C=C5

InChI

InChI=1S/C32H41BrN6O/c1-21-28-18-25(32(28,2)3)19-29(21)37-13-15-39(16-14-37)36-31(34-4)35-27-9-6-23(7-10-27)30(40)38-12-11-22-5-8-26(33)17-24(22)20-38/h5-12,17,21,25,28-29H,13-16,18-20H2,1-4H3,(H2,34,35,36)