4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile hydrochloride Openeye Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzonitrile hydrochloride CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]benzonitrile hydrochloride IUPAC Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzonitrile hydrochloride Traditional Name: 4-(4-methyl-1,4-diazepane-1-carbonyl)benzonitrile hydrochloride Formula: C14H18ClN3O MolecularWeight: 279.76522

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C#N.Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC=C(C=C2)C#N.Cl

InChI

InChI=1S/C14H17N3O.ClH/c1-16-7-2-8-17(10-9-16)14(18)13-5-3-12(11-15)4-6-13;/h3-6H,2,7-10H2,1H3;1H