(2S)-2-azanyl-N-[6-oxidanylidene-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[6-oxidanylidene-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propanamide Openeye Name: (2S)-2-amino-N-[6-oxo-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propanamide CAS Name: (2S)-2-amino-N-[6-oxo-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propanamide IUPAC Name: (2S)-2-amino-N-[6-oxo-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propanamide Traditional Name: (2S)-2-amino-N-[6-keto-7-(4-phenylbutyl)-7H-benzo[d][1]benzazepin-5-yl]propionamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)CCCCC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)CCCCC4=CC=CC=C4)N

InChI

InChI=1S/C27H29N3O2/c1-19(28)26(31)29-30-25-18-10-9-16-23(25)21-14-7-8-15-22(21)24(27(30)32)17-6-5-13-20-11-3-2-4-12-20/h2-4,7-12,14-16,18-19,24H,5-6,13,17,28H2,1H3,(H,29,31)/t19-,24?/m0/s1