2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-propylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-propylpiperazin-1-yl)carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-[oxo-(4-propyl-1-piperazinyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-cyclohexyl-3-(4-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)-3,4-dihydroisocarbostyril Formula: C30H39N3O3 MolecularWeight: 489.64896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC=CC=C23)C4CCCCC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C30H39N3O3/c1-3-17-31-18-20-32(21-19-31)30(35)27-25-11-7-8-12-26(25)29(34)33(23-9-5-4-6-10-23)28(27)22-13-15-24(36-2)16-14-22/h7-8,11-16,23,27-28H,3-6,9-10,17-21H2,1-2H3