(1S,3S)-N3-(isoquinolin-4-ylmethyl)-N1-(7-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine

Systemtic Name: (1S,3S)-N3-(isoquinolin-4-ylmethyl)-N1-(7-methoxy-4-methyl-quinolin-2-yl)cyclohexane-1,3-diamine Openeye Name: (1S,3S)-N3-(4-isoquinolylmethyl)-N1-(7-methoxy-4-methyl-2-quinolyl)cyclohexane-1,3-diamine CAS Name: (1S,3S)-N3-(4-isoquinolinylmethyl)-N1-(7-methoxy-4-methyl-2-quinolinyl)cyclohexane-1,3-diamine IUPAC Name: (1S,3S)-3-N-(isoquinolin-4-ylmethyl)-1-N-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine Traditional Name: 4-isoquinolylmethyl-[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclohexyl]amine Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCCC(C3)NCC4=CN=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CCC[C@@H](C3)NCC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C27H30N4O/c1-18-12-27(31-26-14-23(32-2)10-11-24(18)26)30-22-8-5-7-21(13-22)29-17-20-16-28-15-19-6-3-4-9-25(19)20/h3-4,6,9-12,14-16,21-22,29H,5,7-8,13,17H2,1-2H3,(H,30,31)/t21-,22-/m0/s1