[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-methyl-4-(phenylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 2-methyl-4-(phenylmethylene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-benzal-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)N5CCCCCC5

Isomeric SMILES

CC1CC(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4C(=C3C1)C(=O)OCC(=O)N5CCCCCC5

InChI

InChI=1S/C30H32N2O3/c1-21-17-23(19-22-11-5-4-6-12-22)29-25(18-21)28(24-13-7-8-14-26(24)31-29)30(34)35-20-27(33)32-15-9-2-3-10-16-32/h4-8,11-14,19,21H,2-3,9-10,15-18,20H2,1H3