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

Systemtic Name: 3-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-[4-(2-thenyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CS3)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CS3)C

InChI

InChI=1S/C20H26N4OS/c1-16(2)13-20(25)22-17-6-7-19(21-14-17)24-9-4-8-23(10-11-24)15-18-5-3-12-26-18/h3,5-7,12-14H,4,8-11,15H2,1-2H3,(H,22,25)