(2R)-N-(2-azanylethyl)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanamide

Systemtic Name: (2R)-N-(2-azanylethyl)-2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-3-methyl-butanamide Openeye Name: (2R)-N-(2-aminoethyl)-2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-3-methyl-butanamide CAS Name: (2R)-N-(2-aminoethyl)-2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-3-methylbutanamide IUPAC Name: (2R)-N-(2-aminoethyl)-2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-3-methylbutanamide Traditional Name: (2R)-N-(2-aminoethyl)-2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-3-methyl-butyramide Formula: C18H30N4O2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCN)N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)[C@H](C(=O)NCCN)N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C18H30N4O2/c1-14(2)17(18(24)20-10-9-19)22-13-15(7-8-16(22)23)21-11-5-3-4-6-12-21/h7-8,13-14,17H,3-6,9-12,19H2,1-2H3,(H,20,24)/t17-/m1/s1