3-[3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]-3-pyrrolidin-1-yl-propanal

Systemtic Name: 3-[3-(aminomethyl)-4-butoxy-6,7-bis(chloranyl)-1-oxidanylidene-isoquinolin-2-yl]-3-pyrrolidin-1-yl-propanal Openeye Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolyl]-3-pyrrolidin-1-yl-propanal CAS Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxo-2-isoquinolinyl]-3-(1-pyrrolidinyl)propanal IUPAC Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-oxoisoquinolin-2-yl]-3-pyrrolidin-1-ylpropanal Traditional Name: 3-[3-(aminomethyl)-4-butoxy-6,7-dichloro-1-keto-2-isoquinolyl]-3-pyrrolidino-propionaldehyde Formula: C21H27Cl2N3O3 MolecularWeight: 440.36338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C(CC=O)N3CCCC3)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C(CC=O)N3CCCC3)CN

InChI

InChI=1S/C21H27Cl2N3O3/c1-2-3-10-29-20-14-11-16(22)17(23)12-15(14)21(28)26(18(20)13-24)19(6-9-27)25-7-4-5-8-25/h9,11-12,19H,2-8,10,13,24H2,1H3