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

Systemtic Name: 2-azanyl-N-(1-methyl-2-oxidanylidene-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-amino-N-[1-methyl-2-oxo-5-(1-piperidyl)-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 2-amino-N-[1-methyl-2-oxo-5-(1-piperidinyl)-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 2-amino-N-(1-methyl-2-oxo-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-amino-N-(2-keto-1-methyl-5-piperidino-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)N3CCCCC3)C)N

Isomeric SMILES

CC(C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCCCC3)C)N

InChI

InChI=1S/C18H25N5O2/c1-12(19)17(24)21-15-18(25)22(2)14-9-5-4-8-13(14)16(20-15)23-10-6-3-7-11-23/h4-5,8-9,12,15H,3,6-7,10-11,19H2,1-2H3,(H,21,24)