ethyl 3-[(1-piperidin-1-ylisoquinolin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(1-piperidin-1-ylisoquinolin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(1-piperidyl)isoquinoline-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-(1-piperidinyl)-4-isoquinolinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-piperidin-1-ylisoquinoline-4-carbonyl)amino]benzoate Traditional Name: 3-[(1-piperidinoisoquinoline-4-carbonyl)amino]benzoic acid ethyl ester Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCCCC4

InChI

InChI=1S/C24H25N3O3/c1-2-30-24(29)17-9-8-10-18(15-17)26-23(28)21-16-25-22(27-13-6-3-7-14-27)20-12-5-4-11-19(20)21/h4-5,8-12,15-16H,2-3,6-7,13-14H2,1H3,(H,26,28)