1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-oxidanylpiperidin-1-yl)carbonylphenyl]urea

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-oxidanylpiperidin-1-yl)carbonylphenyl]urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]urea Formula: C31H39N5O4 MolecularWeight: 545.67246

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)O)C5CCCCC5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)O)C5CCCCC5

InChI

InChI=1S/C31H39N5O4/c1-2-17-36-26-14-7-6-13-25(26)27(21-9-4-3-5-10-21)33-28(30(36)39)34-31(40)32-23-12-8-11-22(20-23)29(38)35-18-15-24(37)16-19-35/h6-8,11-14,20-21,24,28,37H,2-5,9-10,15-19H2,1H3,(H2,32,34,40)