[1,5-dimethyl-2-(4-methylphenyl)indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [1,5-dimethyl-2-(4-methylphenyl)indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [1,5-dimethyl-2-(p-tolyl)indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: [1,5-dimethyl-2-(4-methylphenyl)-3-indolyl]-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1,5-dimethyl-2-(4-methylphenyl)indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [1,5-dimethyl-2-(p-tolyl)indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C28H30N4O MolecularWeight: 438.564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(N2C)C=CC(=C3)C)C(=O)N4CCCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(N2C)C=CC(=C3)C)C(=O)N4CCCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H30N4O/c1-20-8-11-22(12-9-20)27-26(23-19-21(2)10-13-24(23)30(27)3)28(33)32-16-6-15-31(17-18-32)25-7-4-5-14-29-25/h4-5,7-14,19H,6,15-18H2,1-3H3