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

Systemtic Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[1-methyl-5-(4-methyl-1-piperazinyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[1-methyl-5-(4-methylpiperazin-1-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[2-keto-1-methyl-5-(4-methylpiperazino)-3H-1,4-benzodiazepin-3-yl]-3-phenyl-urea Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)C)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC(C(=O)N(C3=CC=CC=C32)C)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N6O2/c1-26-12-14-28(15-13-26)20-17-10-6-7-11-18(17)27(2)21(29)19(24-20)25-22(30)23-16-8-4-3-5-9-16/h3-11,19H,12-15H2,1-2H3,(H2,23,25,30)