[2-[(1-azanylisoquinolin-7-yl)carbonylamino]-2-phenyl-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(1-azanylisoquinolin-7-yl)carbonylamino]-2-phenyl-ethyl] 4-methylbenzoate Openeye Name: [2-[(1-aminoisoquinoline-7-carbonyl)amino]-2-phenyl-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[[(1-amino-7-isoquinolinyl)-oxomethyl]amino]-2-phenylethyl] ester IUPAC Name: [2-[(1-aminoisoquinoline-7-carbonyl)amino]-2-phenylethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(1-aminoisoquinoline-7-carbonyl)amino]-2-phenyl-ethyl] ester Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C26H23N3O3/c1-17-7-9-20(10-8-17)26(31)32-16-23(19-5-3-2-4-6-19)29-25(30)21-12-11-18-13-14-28-24(27)22(18)15-21/h2-15,23H,16H2,1H3,(H2,27,28)(H,29,30)