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

Systemtic Name: 1-methyl-3-[3-[[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]urea Openeye Name: 1-methyl-3-[3-[[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]urea CAS Name: 1-methyl-3-[3-[[[[5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]phenyl]urea IUPAC Name: 1-methyl-3-[3-[[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]phenyl]urea Traditional Name: 1-[2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-[3-(methylcarbamoylamino)phenyl]urea Formula: C26H34N8O3 MolecularWeight: 506.59996

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)NC(=O)NC)N4CCN(CC4)C

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC(=CC=C3)NC(=O)NC)N4CCN(CC4)C

InChI

InChI=1S/C26H34N8O3/c1-4-12-34-21-11-6-5-10-20(21)23(33-15-13-32(3)14-16-33)30-22(24(34)35)31-26(37)29-19-9-7-8-18(17-19)28-25(36)27-2/h5-11,17,22H,4,12-16H2,1-3H3,(H2,27,28,36)(H2,29,31,37)