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

Systemtic Name: (2S)-2-azanyl-N-[7-(2-methylpropyl)-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl]propanamide Openeye Name: (2S)-2-amino-N-(7-isobutyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide CAS Name: (2S)-2-amino-N-[7-(2-methylpropyl)-6-oxo-7H-benzo[d][1]benzazepin-5-yl]propanamide IUPAC Name: (2S)-2-amino-N-[7-(2-methylpropyl)-6-oxo-7H-benzo[d][1]benzazepin-5-yl]propanamide Traditional Name: (2S)-2-amino-N-(7-isobutyl-6-keto-7H-benzo[d][1]benzazepin-5-yl)propionamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)NC(=O)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-13(2)12-18-16-9-5-4-8-15(16)17-10-6-7-11-19(17)24(21(18)26)23-20(25)14(3)22/h4-11,13-14,18H,12,22H2,1-3H3,(H,23,25)/t14-,18?/m0/s1