1-(1-butyl-2-oxidanylidene-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(1-butyl-2-oxidanylidene-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(1-butyl-2-oxo-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(4-pyridyl)piperazin-1-yl]phenyl]urea CAS Name: 1-(1-butyl-2-oxo-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-yl-1-piperazinyl)phenyl]urea IUPAC Name: 1-(1-butyl-2-oxo-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]urea Traditional Name: 1-(1-butyl-2-keto-5-phenethyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(4-pyridyl)piperazino]phenyl]urea Formula: C37H41N7O2 MolecularWeight: 615.76714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=NC=C5)CCC6=CC=CC=C6

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C5=CC=NC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C37H41N7O2/c1-2-3-23-44-34-12-8-7-11-32(34)33(18-13-28-9-5-4-6-10-28)40-35(36(44)45)41-37(46)39-29-14-16-30(17-15-29)42-24-26-43(27-25-42)31-19-21-38-22-20-31/h4-12,14-17,19-22,35H,2-3,13,18,23-27H2,1H3,(H2,39,41,46)