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

Systemtic Name: 1-(3-methylphenyl)-3-[2-(2-oxidanylideneethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[2-(2-oxoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methylphenyl)-3-[2-(2-oxoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[2-(2-oxoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-(2-ketoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NCC=O

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)NCC=O

InChI

InChI=1S/C25H23N5O2/c1-17-8-7-11-19(16-17)27-25(32)30-24-23(26-14-15-31)28-21-13-6-5-12-20(21)22(29-24)18-9-3-2-4-10-18/h2-13,15-16,24H,14H2,1H3,(H,26,28)(H2,27,30,32)