4-(4-chlorophenyl)carbonyl-1-(isoquinolin-7-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-(4-chlorophenyl)carbonyl-1-(isoquinolin-7-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(4-chlorobenzoyl)-1-(7-isoquinolylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-1-(7-isoquinolinylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(4-chlorobenzoyl)-1-(isoquinolin-7-ylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(4-chlorobenzoyl)-1-(7-isoquinolylmethyl)-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C26H20ClN3O2 MolecularWeight: 441.9089

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C26H20ClN3O2/c27-23-9-7-20(8-10-23)26(32)29-16-21-3-1-2-4-24(21)30(25(31)17-29)15-18-5-6-19-11-12-28-14-22(19)13-18/h1-14H,15-17H2