(4-azanylquinazolin-2-yl)methyl 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 2-(2-chlorophenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (4-aminoquinazolin-2-yl)methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[(2-chlorophenyl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C26H21ClN4O3 MolecularWeight: 472.92294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3Cl)C(=O)OCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C26H21ClN4O3/c27-20-11-5-3-9-18(20)25(32)31-14-17-8-2-1-7-16(17)13-22(31)26(33)34-15-23-29-21-12-6-4-10-19(21)24(28)30-23/h1-12,22H,13-15H2,(H2,28,29,30)