(3R)-2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one

Systemtic Name: (3R)-2-[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Openeye Name: (3R)-2-[(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-3-(1-methylindol-3-yl)isoindolin-1-one CAS Name: (3R)-2-[(2R)-1-(1-azepanyl)-1-oxopropan-2-yl]-3-(1-methyl-3-indolyl)-3H-isoindol-1-one IUPAC Name: (3R)-2-[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl]-3-(1-methylindol-3-yl)-3H-isoindol-1-one Traditional Name: (3R)-2-[(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-3-(1-methylindol-3-yl)isoindolin-1-one Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)N2[C@H](C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C26H29N3O2/c1-18(25(30)28-15-9-3-4-10-16-28)29-24(20-12-5-6-13-21(20)26(29)31)22-17-27(2)23-14-8-7-11-19(22)23/h5-8,11-14,17-18,24H,3-4,9-10,15-16H2,1-2H3/t18-,24-/m1/s1