3-[4-(4-quinolin-8-yl-1,4-diazepan-1-yl)cyclohexyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-(4-quinolin-8-yl-1,4-diazepan-1-yl)cyclohexyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-[4-(8-quinolyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-[4-(8-quinolinyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-(4-quinolin-8-yl-1,4-diazepan-1-yl)cyclohexyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-[4-(8-quinolyl)-1,4-diazepan-1-yl]cyclohexyl]-1H-indole-5-carbonitrile Formula: C29H31N5 MolecularWeight: 449.58994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=CC3=C2N=CC=C3)C4CCC(CC4)C5=CNC6=C5C=C(C=C6)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=CC=CC3=C2N=CC=C3)C4CCC(CC4)C5=CNC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C29H31N5/c30-19-21-7-12-27-25(18-21)26(20-32-27)22-8-10-24(11-9-22)33-14-3-15-34(17-16-33)28-6-1-4-23-5-2-13-31-29(23)28/h1-2,4-7,12-13,18,20,22,24,32H,3,8-11,14-17H2