ethyl 4-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[3-(1,3-benzodioxol-5-yl)propanoylamino]-1-keto-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O6/c1-2-34-27(33)29-13-10-19(11-14-29)30-15-12-20-21(26(30)32)4-3-5-22(20)28-25(31)9-7-18-6-8-23-24(16-18)36-17-35-23/h3-6,8,12,15-16,19H,2,7,9-11,13-14,17H2,1H3,(H,28,31)