2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carbonitrile hydrochloride

Systemtic Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carbonitrile hydrochloride Openeye Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]-4-methyl-thiazole-5-carbonitrile hydrochloride CAS Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]-4-methyl-5-thiazolecarbonitrile hydrochloride IUPAC Name: 2-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]-4-methyl-1,3-thiazole-5-carbonitrile hydrochloride Traditional Name: 2-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]-4-methyl-thiazole-5-carbonitrile hydrochloride Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C#N)C)CC(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=NC(=C(S3)C#N)C)CC(C)C)CN.Cl

InChI

InChI=1S/C23H28N4O2S.ClH/c1-5-6-9-29-21-18-10-16(22-26-15(4)20(12-25)30-22)7-8-17(18)23(28)27(13-14(2)3)19(21)11-24;/h7-8,10,14H,5-6,9,11,13,24H2,1-4H3;1H