1-[1-(isoquinolin-1-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(isoquinolin-1-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(1-isoquinolylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(1-isoquinolinylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(isoquinolin-1-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(1-isoquinolylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C33H27N5O2 MolecularWeight: 525.59978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=NC=CC6=CC=CC=C65

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=NC=CC6=CC=CC=C65

InChI

InChI=1S/C33H27N5O2/c1-22-10-9-14-25(20-22)35-33(40)37-31-32(39)38(21-28-26-15-6-5-11-23(26)18-19-34-28)29-17-8-7-16-27(29)30(36-31)24-12-3-2-4-13-24/h2-20,31H,21H2,1H3,(H2,35,37,40)