2-[5-cyclohexyl-2-oxidanylidene-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide

Systemtic Name: 2-[5-cyclohexyl-2-oxidanylidene-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-yl-ethanamide Openeye Name: 2-[5-cyclohexyl-2-oxo-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[3-[[anilino(oxo)methyl]amino]-5-cyclohexyl-2-oxo-3H-1,4-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide IUPAC Name: 2-[5-cyclohexyl-2-oxo-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide Traditional Name: 2-[5-cyclohexyl-2-keto-3-(phenylcarbamoylamino)-3H-1,4-benzodiazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide Formula: C34H39N5O4 MolecularWeight: 581.70456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)OC)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C34H39N5O4/c1-23(2)39(26-18-20-27(43-3)21-19-26)30(40)22-38-29-17-11-10-16-28(29)31(24-12-6-4-7-13-24)36-32(33(38)41)37-34(42)35-25-14-8-5-9-15-25/h5,8-11,14-21,23-24,32H,4,6-7,12-13,22H2,1-3H3,(H2,35,37,42)