1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-(4-pyridin-3-ylphenyl)urea

Systemtic Name: 1-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-(4-pyridin-3-ylphenyl)urea Openeye Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(3-pyridyl)phenyl]urea CAS Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(3-pyridinyl)phenyl]urea IUPAC Name: 1-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-(4-pyridin-3-ylphenyl)urea Traditional Name: 1-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-3-[4-(3-pyridyl)phenyl]urea Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4)C5CCCCC5

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4)C5CCCCC5

InChI

InChI=1S/C30H33N5O2/c1-2-19-35-26-13-7-6-12-25(26)27(22-9-4-3-5-10-22)33-28(29(35)36)34-30(37)32-24-16-14-21(15-17-24)23-11-8-18-31-20-23/h6-8,11-18,20,22,28H,2-5,9-10,19H2,1H3,(H2,32,34,37)