(2S)-2-azanyl-N-[1-(2-methoxyethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[1-(2-methoxyethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: (2S)-2-amino-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-[1-(2-methoxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: (2S)-2-amino-N-[2-keto-1-(2-methoxyethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCOC)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CCOC)N

InChI

InChI=1S/C21H24N4O3/c1-14(22)20(26)24-19-21(27)25(12-13-28-2)17-11-7-6-10-16(17)18(23-19)15-8-4-3-5-9-15/h3-11,14,19H,12-13,22H2,1-2H3,(H,24,26)/t14-,19?/m0/s1