7-[[[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]amino]methyl]naphthalene-2-carbonitrile

Systemtic Name: 7-[[[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)phenyl]amino]methyl]naphthalene-2-carbonitrile Openeye Name: 7-[[4-[4-(4-pyridyl)-1,4-diazepan-1-yl]anilino]methyl]naphthalene-2-carbonitrile CAS Name: 7-[[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)anilino]methyl]-2-naphthalenecarbonitrile IUPAC Name: 7-[[4-(4-pyridin-4-yl-1,4-diazepan-1-yl)anilino]methyl]naphthalene-2-carbonitrile Traditional Name: 7-[[4-[4-(4-pyridyl)-1,4-diazepan-1-yl]anilino]methyl]naphthalene-2-carbonitrile Formula: C28H27N5 MolecularWeight: 433.54748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=NC=C2)C3=CC=C(C=C3)NCC4=CC5=C(C=C4)C=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=CC=NC=C2)C3=CC=C(C=C3)NCC4=CC5=C(C=C4)C=CC(=C5)C#N

InChI

InChI=1S/C28H27N5/c29-20-22-2-4-24-5-3-23(19-25(24)18-22)21-31-26-6-8-27(9-7-26)32-14-1-15-33(17-16-32)28-10-12-30-13-11-28/h2-13,18-19,31H,1,14-17,21H2