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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCCN(CC2)C3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N

Isomeric SMILES

COC1=CC=CC=C1N2CCCN(CC2)C3CCC(CC3)C4=CNC5=C4C=C(C=C5)C#N

InChI

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