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

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinoline-6-carbonitrile Openeye Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-6-carbonitrile CAS Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-isoquinolinecarbonitrile IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinoline-6-carbonitrile Traditional Name: 3-(aminomethyl)-4-butoxy-1-keto-2-neopentyl-isoquinoline-6-carbonitrile Formula: C20H27N3O2 MolecularWeight: 341.44728

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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)C)CN

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-5-6-9-25-18-16-10-14(11-21)7-8-15(16)19(24)23(17(18)12-22)13-20(2,3)4/h7-8,10H,5-6,9,12-13,22H2,1-4H3