[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(9-oxidanylideneacridin-10-yl)ethanoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(9-oxidanylideneacridin-10-yl)ethanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 2-(9-oxoacridin-10-yl)acetate CAS Name: 2-(9-oxo-10-acridinyl)acetic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate Traditional Name: 2-(9-ketoacridin-10-yl)acetic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

InChI

InChI=1S/C29H29N3O4/c33-27(30-21-13-15-22(16-14-21)31-17-7-1-2-8-18-31)20-36-28(34)19-32-25-11-5-3-9-23(25)29(35)24-10-4-6-12-26(24)32/h3-6,9-16H,1-2,7-8,17-20H2,(H,30,33)