5-(3-azanyl-1-phenyl-propyl)-4-[(5-methylpyrazin-2-yl)methyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(3-azanyl-1-phenyl-propyl)-4-[(5-methylpyrazin-2-yl)methyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(3-amino-1-phenyl-propyl)-4-[(5-methylpyrazin-2-yl)methyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-(3-amino-1-phenylpropyl)-4-[(5-methyl-2-pyrazinyl)methyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(3-amino-1-phenylpropyl)-4-[(5-methylpyrazin-2-yl)methyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(3-amino-1-phenyl-propyl)-6-keto-4-[(5-methylpyrazin-2-yl)methyl]cyclohexa-1,3-diene-1-carbonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)CC2=CC=C(C(=O)C2C(CCN)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CN=C(C=N1)CC2=CC=C(C(=O)C2C(CCN)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N4O/c1-15-13-26-19(14-25-15)11-17-7-8-18(12-24)22(27)21(17)20(9-10-23)16-5-3-2-4-6-16/h2-8,13-14,20-21H,9-11,23H2,1H3