[3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butyl] ethanoate

Systemtic Name: [3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methyl-butyl] ethanoate Openeye Name: [3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-3-methyl-butyl] acetate CAS Name: acetic acid [3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-3-methylbutyl] ester IUPAC Name: [3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-3-methylbutyl] acetate Traditional Name: acetic acid [3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-3-methyl-butyl] ester Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)CCOC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C(C)(C)CCOC(=O)C

InChI

InChI=1S/C28H35N3O2/c1-5-30-15-17-31(18-16-30)27-25-9-7-6-8-23(25)20-26(29-27)22-10-12-24(13-11-22)28(3,4)14-19-33-21(2)32/h6-13,20H,5,14-19H2,1-4H3