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

Systemtic Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[2-(4-phenoxyphenyl)ethanoylamino]propanamide Openeye Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[[2-(4-phenoxyphenyl)acetyl]amino]propanamide CAS Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[[1-oxo-2-(4-phenoxyphenyl)ethyl]amino]propanamide IUPAC Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[[2-(4-phenoxyphenyl)acetyl]amino]propanamide Traditional Name: (2S)-N-(1-methyl-5-phenyl-1,4-benzodiazepin-3-yl)-2-[[2-(4-phenoxyphenyl)acetyl]amino]propionamide Formula: C33H30N4O3 MolecularWeight: 530.6163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CN(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C33H30N4O3/c1-23(34-31(38)21-24-17-19-27(20-18-24)40-26-13-7-4-8-14-26)33(39)36-30-22-37(2)29-16-10-9-15-28(29)32(35-30)25-11-5-3-6-12-25/h3-20,22-23H,21H2,1-2H3,(H,34,38)(H,36,39)/t23-/m0/s1