3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-quinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-5-carbonitrile

Systemtic Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-quinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-5-carbonitrile Openeye Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-5-carbonitrile CAS Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolinyl)amino]cyclopentyl]amino]methyl]-1-methyl-5-indolecarbonitrile IUPAC Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]amino]methyl]-1-methylindole-5-carbonitrile Traditional Name: 3-[[[(1S,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]amino]methyl]-1-methyl-indole-5-carbonitrile Formula: C27H29N5O MolecularWeight: 439.55206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCC(C3)NCC4=CN(C5=C4C=C(C=C5)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)N[C@H]3CC[C@@H](C3)NCC4=CN(C5=C4C=C(C=C5)C#N)C

InChI

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