[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: 4-piperonylidene-2,3-dihydro-1H-acridine-9-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C30H30N2O5 MolecularWeight: 498.5696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3CCCC(=CC4=CC5=C(C=C4)OCO5)C3=NC6=CC=CC=C62

InChI

InChI=1S/C30H30N2O5/c33-27(32-14-5-1-2-6-15-32)18-35-30(34)28-22-9-3-4-11-24(22)31-29-21(8-7-10-23(28)29)16-20-12-13-25-26(17-20)37-19-36-25/h3-4,9,11-13,16-17H,1-2,5-8,10,14-15,18-19H2