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

Systemtic Name: 3-[[(1R,3S)-3-[(7-methoxy-4-methyl-quinolin-2-yl)amino]cyclopentyl]methyl]-1-methyl-indole-5-carbonitrile Openeye Name: 3-[[(1R,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]methyl]-1-methyl-indole-5-carbonitrile CAS Name: 3-[[(1R,3S)-3-[(7-methoxy-4-methyl-2-quinolinyl)amino]cyclopentyl]methyl]-1-methyl-5-indolecarbonitrile IUPAC Name: 3-[[(1R,3S)-3-[(7-methoxy-4-methylquinolin-2-yl)amino]cyclopentyl]methyl]-1-methylindole-5-carbonitrile Traditional Name: 3-[[(1R,3S)-3-[(7-methoxy-4-methyl-2-quinolyl)amino]cyclopentyl]methyl]-1-methyl-indole-5-carbonitrile Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)NC3CCC(C3)CC4=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)CC4=CN(C5=C4C=C(C=C5)C#N)C

InChI

InChI=1S/C27H28N4O/c1-17-10-27(30-25-14-22(32-3)7-8-23(17)25)29-21-6-4-18(12-21)11-20-16-31(2)26-9-5-19(15-28)13-24(20)26/h5,7-10,13-14,16,18,21H,4,6,11-12H2,1-3H3,(H,29,30)/t18-,21+/m1/s1