3-azanyl-1-(isoquinolin-1-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-1-(isoquinolin-1-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-1-(1-isoquinolylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-1-(1-isoquinolinylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-1-(isoquinolin-1-ylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-1-(1-isoquinolylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C25H20N4O MolecularWeight: 392.4525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NC=CC5=CC=CC=C54)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC4=NC=CC5=CC=CC=C54)N

InChI

InChI=1S/C25H20N4O/c26-24-25(30)29(16-21-19-11-5-4-8-17(19)14-15-27-21)22-13-7-6-12-20(22)23(28-24)18-9-2-1-3-10-18/h1-15,24H,16,26H2