ethyl 4-[1-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-oxo-5-[(4-phenylbenzoyl)amino]-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[1-oxo-5-[[oxo-(4-phenylphenyl)methyl]amino]-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-oxo-5-[(4-phenylbenzoyl)amino]isoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-[(4-phenylbenzoyl)amino]-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C30H29N3O4 MolecularWeight: 495.56896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4/c1-2-37-30(36)32-18-15-24(16-19-32)33-20-17-25-26(29(33)35)9-6-10-27(25)31-28(34)23-13-11-22(12-14-23)21-7-4-3-5-8-21/h3-14,17,20,24H,2,15-16,18-19H2,1H3,(H,31,34)