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

Systemtic Name: 3-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=NC=C3)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=NC=C3)C

InChI

InChI=1S/C21H27N5O/c1-17(2)14-21(27)24-19-4-5-20(23-15-19)26-11-3-10-25(12-13-26)16-18-6-8-22-9-7-18/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,24,27)