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

Systemtic Name: 1-(5-cycloheptyl-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-methylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-methylpiperazin-1-yl)phenyl]urea CAS Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-methyl-1-piperazinyl)phenyl]urea IUPAC Name: 1-(5-cycloheptyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-methylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(5-cycloheptyl-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-methylpiperazino)phenyl]urea Formula: C29H38N6O2 MolecularWeight: 502.65102

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=CC=C2)NC(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5CCCCCC5)C

Isomeric SMILES

CN1CCN(CC1)C2=CC(=CC=C2)NC(=O)NC3C(=O)N(C4=CC=CC=C4C(=N3)C5CCCCCC5)C

InChI

InChI=1S/C29H38N6O2/c1-33-16-18-35(19-17-33)23-13-9-12-22(20-23)30-29(37)32-27-28(36)34(2)25-15-8-7-14-24(25)26(31-27)21-10-5-3-4-6-11-21/h7-9,12-15,20-21,27H,3-6,10-11,16-19H2,1-2H3,(H2,30,32,37)