6-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]nicotinonitrile Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C#N)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C#N)C5=CC=CC=C5)C

InChI

InChI=1S/C28H27N5O/c1-20-9-11-24-23(17-20)26(27(31(24)2)22-7-4-3-5-8-22)28(34)33-14-6-13-32(15-16-33)25-12-10-21(18-29)19-30-25/h3-5,7-12,17,19H,6,13-16H2,1-2H3