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

Systemtic Name: 1-(3-methylphenyl)-3-[(3S)-5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[(3S)-5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(3S)-5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(3S)-5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[(3S)-2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCN(CC4)C

InChI

InChI=1S/C25H32N6O2/c1-4-12-31-21-11-6-5-10-20(21)23(30-15-13-29(3)14-16-30)27-22(24(31)32)28-25(33)26-19-9-7-8-18(2)17-19/h5-11,17,22H,4,12-16H2,1-3H3,(H2,26,28,33)/t22-/m1/s1