6-bromanyl-4-phenyl-2-[(4-piperazin-1-ylcarbonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one hydrochloride

Systemtic Name: 6-bromanyl-4-phenyl-2-[(4-piperazin-1-ylcarbonylphenyl)methyl]-3-propanoyl-isoquinolin-1-one hydrochloride Openeye Name: 6-bromo-4-phenyl-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]-3-propanoyl-isoquinolin-1-one hydrochloride CAS Name: 6-bromo-2-[[4-[oxo(1-piperazinyl)methyl]phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone hydrochloride IUPAC Name: 6-bromo-4-phenyl-2-[[4-(piperazine-1-carbonyl)phenyl]methyl]-3-propanoylisoquinolin-1-one hydrochloride Traditional Name: 6-bromo-4-phenyl-2-[4-(piperazine-1-carbonyl)benzyl]-3-propionyl-isocarbostyril hydrochloride Formula: C30H29BrClN3O3 MolecularWeight: 594.92656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCNCC4)C5=CC=CC=C5.Cl

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(=O)N4CCNCC4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C30H28BrN3O3.ClH/c1-2-26(35)28-27(21-6-4-3-5-7-21)25-18-23(31)12-13-24(25)30(37)34(28)19-20-8-10-22(11-9-20)29(36)33-16-14-32-15-17-33;/h3-13,18,32H,2,14-17,19H2,1H3;1H