4-[[4-(6-methoxynaphthalen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(6-methoxynaphthalen-2-yl)carbonyl-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-methoxynaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-methoxynaphthalene-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(6-methoxy-2-naphthoyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H25N3O2/c1-30-24-10-9-21-15-23(8-7-22(21)16-24)25(29)28-12-2-11-27(13-14-28)18-20-5-3-19(17-26)4-6-20/h3-10,15-16H,2,11-14,18H2,1H3