2-[4-[2-(4-butoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-(4-butoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butoxyphenyl)acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butoxyphenyl)-1-oxoethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butoxyphenyl)acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butoxyphenyl)acetyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C23H28N4O2/c1-2-3-16-29-21-9-7-19(8-10-21)17-22(28)26-12-5-13-27(15-14-26)23-20(18-24)6-4-11-25-23/h4,6-11H,2-3,5,12-17H2,1H3