3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-quinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-7-carbonitrile

Systemtic Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-quinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-7-carbonitrile Openeye Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-7-carbonitrile CAS Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolinyl)amino]cyclopentyl]amino]methyl]-1-methyl-7-indolecarbonitrile IUPAC Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methylindole-7-carbonitrile Traditional Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-7-carbonitrile Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCC(C3)NCC4=CN(C5=C(C=CC=C45)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CC[C@@H](C3)NCC4=CN(C5=C(C=CC=C45)C#N)C

InChI

InChI=1S/C27H29N5O/c1-17-11-26(31-25-13-22(33-3)9-10-23(17)25)30-21-8-7-20(12-21)29-15-19-16-32(2)27-18(14-28)5-4-6-24(19)27/h4-6,9-11,13,16,20-21,29H,7-8,12,15H2,1-3H3,(H,30,31)/t20-,21-/m0/s1