N-(3-azanylpropyl)-4-bromanyl-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]benzamide

Systemtic Name: N-(3-azanylpropyl)-4-bromanyl-N-[1-[6-chloranyl-1-oxidanylidene-2-(phenylmethyl)isoquinolin-3-yl]-2-methyl-propyl]benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxo-3-isoquinolyl)-2-methyl-propyl]-4-bromo-benzamide CAS Name: N-(3-aminopropyl)-4-bromo-N-[1-[6-chloro-1-oxo-2-(phenylmethyl)-3-isoquinolinyl]-2-methylpropyl]benzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-oxoisoquinolin-3-yl)-2-methylpropyl]-4-bromobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(2-benzyl-6-chloro-1-keto-3-isoquinolyl)-2-methyl-propyl]-4-bromo-benzamide Formula: C30H31BrClN3O2 MolecularWeight: 580.94304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)C(C1=CC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H31BrClN3O2/c1-20(2)28(34(16-6-15-33)29(36)22-9-11-24(31)12-10-22)27-18-23-17-25(32)13-14-26(23)30(37)35(27)19-21-7-4-3-5-8-21/h3-5,7-14,17-18,20,28H,6,15-16,19,33H2,1-2H3