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

Systemtic Name: 1-(2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea Openeye Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[2-[1-(4-pyridyl)-4-piperidyl]ethyl]urea CAS Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[2-(1-pyridin-4-yl-4-piperidinyl)ethyl]urea IUPAC Name: 1-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]urea Traditional Name: 1-(2-keto-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[2-[1-(4-pyridyl)-4-piperidyl]ethyl]urea Formula: C33H40N6O2 MolecularWeight: 552.7097

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NCCC3CCN(CC3)C4=CC=NC=C4)CCC5=CC=CC=C5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NCCC3CCN(CC3)C4=CC=NC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H40N6O2/c1-2-22-39-30-11-7-6-10-28(30)29(13-12-25-8-4-3-5-9-25)36-31(32(39)40)37-33(41)35-21-14-26-17-23-38(24-18-26)27-15-19-34-20-16-27/h3-11,15-16,19-20,26,31H,2,12-14,17-18,21-24H2,1H3,(H2,35,37,41)