2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanamide

Systemtic Name: 2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanamide Openeye Name: 2-[[(3S)-4-oxo-5-(p-tolylmethyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butanamide CAS Name: 2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanamide IUPAC Name: 2-[[(3S)-5-[(4-methylphenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenylbutanamide Traditional Name: 2-[[(3S)-4-keto-5-(4-methylbenzyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]amino]-4-phenyl-butyramide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OCC(C2=O)NC(CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3OC[C@@H](C2=O)NC(CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C27H29N3O3/c1-19-11-13-21(14-12-19)17-30-24-9-5-6-10-25(24)33-18-23(27(30)32)29-22(26(28)31)16-15-20-7-3-2-4-8-20/h2-14,22-23,29H,15-18H2,1H3,(H2,28,31)/t22?,23-/m0/s1