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

Systemtic Name: 1-(2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]urea Openeye Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(4-pyridyl)-1-piperidyl]phenyl]urea CAS Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-yl-1-piperidinyl)phenyl]urea IUPAC Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]urea Traditional Name: 1-(2-keto-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-[4-(4-pyridyl)piperidino]phenyl]urea Formula: C37H40N6O2 MolecularWeight: 600.7525

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)C5=CC=NC=C5)CCC6=CC=CC=C6

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)N4CCC(CC4)C5=CC=NC=C5)CCC6=CC=CC=C6

InChI

InChI=1S/C37H40N6O2/c1-2-24-43-34-11-7-6-10-32(34)33(17-12-27-8-4-3-5-9-27)40-35(36(43)44)41-37(45)39-30-13-15-31(16-14-30)42-25-20-29(21-26-42)28-18-22-38-23-19-28/h3-11,13-16,18-19,22-23,29,35H,2,12,17,20-21,24-26H2,1H3,(H2,39,41,45)