2-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[2-[(4-butylphenyl)-methyl-amino]ethanoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-butyl-N-methylanilino)-1-oxoethyl]-1,4-diazepan-1-yl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-butyl-N-methylanilino)acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-butyl-N-methyl-anilino)acetyl]-1,4-diazepan-1-yl]nicotinonitrile Formula: C24H31N5O MolecularWeight: 405.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C)CC(=O)N2CCCN(CC2)C3=C(C=CC=N3)C#N

InChI

InChI=1S/C24H31N5O/c1-3-4-7-20-9-11-22(12-10-20)27(2)19-23(30)28-14-6-15-29(17-16-28)24-21(18-25)8-5-13-26-24/h5,8-13H,3-4,6-7,14-17,19H2,1-2H3