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

Systemtic Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: N-[6-(4-m-anisyl-1,4-diazepan-1-yl)-3-pyridyl]-3-methyl-but-2-enamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-18(2)14-23(28)25-20-8-9-22(24-16-20)27-11-5-10-26(12-13-27)17-19-6-4-7-21(15-19)29-3/h4,6-9,14-16H,5,10-13,17H2,1-3H3,(H,25,28)