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

Systemtic Name: 3-methyl-N-[6-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Openeye Name: 3-methyl-N-[6-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]but-2-enamide CAS Name: 3-methyl-N-[6-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-butenamide IUPAC Name: 3-methyl-N-[6-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]pyridin-3-yl]but-2-enamide Traditional Name: 3-methyl-N-[6-[4-(3-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=CSC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-16(2)12-20(25)22-18-4-5-19(21-13-18)24-8-3-7-23(9-10-24)14-17-6-11-26-15-17/h4-6,11-13,15H,3,7-10,14H2,1-2H3,(H,22,25)