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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C)CCC

Isomeric SMILES

CCCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCN(CC4)C)CCC

InChI

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