2-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one

Systemtic Name: 2-[1-(azepan-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Openeye Name: 2-[1-(azepane-1-carbonyl)-3-methyl-butyl]-3-(1-methylindol-3-yl)isoindolin-1-one CAS Name: 2-[1-(1-azepanyl)-4-methyl-1-oxopentan-2-yl]-3-(1-methyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: 2-[1-(azepan-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Traditional Name: 2-[1-(azepane-1-carbonyl)-3-methyl-butyl]-3-(1-methylindol-3-yl)isoindolin-1-one Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCCCCC1)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC(C)CC(C(=O)N1CCCCCC1)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C29H35N3O2/c1-20(2)18-26(29(34)31-16-10-4-5-11-17-31)32-27(22-13-6-7-14-23(22)28(32)33)24-19-30(3)25-15-9-8-12-21(24)25/h6-9,12-15,19-20,26-27H,4-5,10-11,16-18H2,1-3H3