3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile Openeye Name: 3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile CAS Name: 3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile Traditional Name: 3-[4-(1,4-diazepan-1-yl)-4-(2-methoxyphenyl)cyclohexyl]-1H-indole-5-carbonitrile Formula: C27H32N4O MolecularWeight: 428.56918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2(CCC(CC2)C3=CNC4=C3C=C(C=C4)C#N)N5CCCNCC5

Isomeric SMILES

COC1=CC=CC=C1C2(CCC(CC2)C3=CNC4=C3C=C(C=C4)C#N)N5CCCNCC5

InChI

InChI=1S/C27H32N4O/c1-32-26-6-3-2-5-24(26)27(31-15-4-13-29-14-16-31)11-9-21(10-12-27)23-19-30-25-8-7-20(18-28)17-22(23)25/h2-3,5-8,17,19,21,29-30H,4,9-16H2,1H3