(2S)-2-[2-(4-ethoxyphenyl)ethanoylamino]-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: (2S)-2-[2-(4-ethoxyphenyl)ethanoylamino]-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)propanamide CAS Name: (2S)-2-[[2-(4-ethoxyphenyl)-1-oxoethyl]amino]-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: (2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[(2-p-phenetylacetyl)amino]propionamide Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)NC(C)C(=O)NC2=CN(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N[C@@H](C)C(=O)NC2=CN(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C29H30N4O3/c1-4-36-23-16-14-21(15-17-23)18-27(34)30-20(2)29(35)32-26-19-33(3)25-13-9-8-12-24(25)28(31-26)22-10-6-5-7-11-22/h5-17,19-20H,4,18H2,1-3H3,(H,30,34)(H,32,35)/t20-/m0/s1