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

Systemtic Name: 1-(3-methylphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-keto-1-[2-keto-2-(4-methylpiperazino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C30H32N6O3 MolecularWeight: 524.61348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C

InChI

InChI=1S/C30H32N6O3/c1-21-9-8-12-23(19-21)31-30(39)33-28-29(38)36(20-26(37)35-17-15-34(2)16-18-35)25-14-7-6-13-24(25)27(32-28)22-10-4-3-5-11-22/h3-14,19,28H,15-18,20H2,1-2H3,(H2,31,33,39)