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

Systemtic Name: 1-[3-(dimethylamino)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[3-(dimethylamino)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-[3-(dimethylamino)phenyl]-3-[5-(4-methyl-1-piperazinyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-[3-(dimethylamino)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[3-(dimethylamino)phenyl]-3-[2-keto-5-(4-methylpiperazino)-1-propyl-3H-1,4-benzodiazepin-3-yl]urea Formula: C26H35N7O2 MolecularWeight: 477.6018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N7O2/c1-5-13-33-22-12-7-6-11-21(22)24(32-16-14-31(4)15-17-32)28-23(25(33)34)29-26(35)27-19-9-8-10-20(18-19)30(2)3/h6-12,18,23H,5,13-17H2,1-4H3,(H2,27,29,35)