2-[4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl]ethyl ethanoate

Systemtic Name: 2-[4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl]ethyl ethanoate Openeye Name: 2-[4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]tetrahydropyran-4-yl]ethyl acetate CAS Name: acetic acid 2-[4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-4-oxanyl]ethyl ester IUPAC Name: 2-[4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl]ethyl acetate Traditional Name: acetic acid 2-[4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]tetrahydropyran-4-yl]ethyl ester Formula: C30H37N3O3 MolecularWeight: 487.63308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5(CCOCC5)CCOC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5(CCOCC5)CCOC(=O)C

InChI

InChI=1S/C30H37N3O3/c1-3-32-15-17-33(18-16-32)29-27-7-5-4-6-25(27)22-28(31-29)24-8-10-26(11-9-24)30(12-19-35-20-13-30)14-21-36-23(2)34/h4-11,22H,3,12-21H2,1-2H3