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

Systemtic Name: N-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methyl-but-2-enamide Openeye Name: N-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-methyl-but-2-enamide CAS Name: N-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-methyl-2-butenamide IUPAC Name: N-[6-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-methylbut-2-enamide Traditional Name: 3-methyl-N-[6-(4-o-anisyl-1,4-diazepan-1-yl)-3-pyridyl]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=C3OC)C

Isomeric SMILES

CC(=CC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=CC=C3OC)C

InChI

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