2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carbonitrile

Systemtic Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carbonitrile Openeye Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carbonitrile CAS Name: 2-(1-azepanyl)-6-phenyl-4-pyrimidinecarbonitrile IUPAC Name: 2-(azepan-1-yl)-6-phenylpyrimidine-4-carbonitrile Traditional Name: 2-(azepan-1-yl)-6-phenyl-pyrimidine-4-carbonitrile Formula: C17H18N4 MolecularWeight: 278.35162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H18N4/c18-13-15-12-16(14-8-4-3-5-9-14)20-17(19-15)21-10-6-1-2-7-11-21/h3-5,8-9,12H,1-2,6-7,10-11H2