3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-isoquinoline-6-carbonitrile CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarbonitrile IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinoline-6-carbonitrile Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-isoquinoline-6-carbonitrile Formula: C19H25N3O2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C#N)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C#N)CC(C)C)CN

InChI

InChI=1S/C19H25N3O2/c1-4-5-8-24-18-16-9-14(10-20)6-7-15(16)19(23)22(12-13(2)3)17(18)11-21/h6-7,9,13H,4-5,8,11-12,21H2,1-3H3