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

Systemtic Name: [5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [5-methyl-2-(o-tolyl)-1H-indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [5-methyl-2-(o-tolyl)-1H-indol-3-yl]-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2C(=O)N3CCCN(CC3)C4=CC=CC=N4)C5=CC=CC=C5C

InChI

InChI=1S/C27H28N4O/c1-19-11-12-23-22(18-19)25(26(29-23)21-9-4-3-8-20(21)2)27(32)31-15-7-14-30(16-17-31)24-10-5-6-13-28-24/h3-6,8-13,18,29H,7,14-17H2,1-2H3