1-(3-ethylphenyl)-3-[5-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-ethylphenyl)-3-[5-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3-ethylphenyl)-3-[1-isobutyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-ethylphenyl)-3-[5-(4-methyl-1-piperazinyl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-ethylphenyl)-3-[5-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-(3-ethylphenyl)-3-[1-isobutyl-2-keto-5-(4-methylpiperazino)-3H-1,4-benzodiazepin-3-yl]urea Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C)CC(C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C)CC(C)C

InChI

InChI=1S/C27H36N6O2/c1-5-20-9-8-10-21(17-20)28-27(35)30-24-26(34)33(18-19(2)3)23-12-7-6-11-22(23)25(29-24)32-15-13-31(4)14-16-32/h6-12,17,19,24H,5,13-16,18H2,1-4H3,(H2,28,30,35)