(2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-5-piperidin-3-yl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(1-methyl-2-oxidanylidene-5-piperidin-3-yl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: (2S)-2-amino-N-[1-methyl-2-oxo-5-(3-piperidyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: (2S)-2-amino-N-[1-methyl-2-oxo-5-(3-piperidinyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: (2S)-2-amino-N-(1-methyl-2-oxo-5-piperidin-3-yl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: (2S)-2-amino-N-[2-keto-1-methyl-5-(3-piperidyl)-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCNC3)C)N

Isomeric SMILES

C[C@@H](C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3CCCNC3)C)N

InChI

InChI=1S/C18H25N5O2/c1-11(19)17(24)22-16-18(25)23(2)14-8-4-3-7-13(14)15(21-16)12-6-5-9-20-10-12/h3-4,7-8,11-12,16,20H,5-6,9-10,19H2,1-2H3,(H,22,24)/t11-,12?,16?/m0/s1