3-methyl-N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide

Systemtic Name: 3-methyl-N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: N-[6-(4-isopentyl-1,4-diazepan-1-yl)-3-pyridyl]-3-methyl-but-2-enamide CAS Name: 3-methyl-N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: N-[6-(4-isoamyl-1,4-diazepan-1-yl)-3-pyridyl]-3-methyl-but-2-enamide Formula: C20H32N4O MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C=C(C)C

Isomeric SMILES

CC(C)CCN1CCCN(CC1)C2=NC=C(C=C2)NC(=O)C=C(C)C

InChI

InChI=1S/C20H32N4O/c1-16(2)8-11-23-9-5-10-24(13-12-23)19-7-6-18(15-21-19)22-20(25)14-17(3)4/h6-7,14-16H,5,8-13H2,1-4H3,(H,22,25)