3-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]quinoline

Systemtic Name: 3-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]quinoline Openeye Name: 3-[(3,4-diethoxyphenyl)-piperazin-1-yl-methyl]quinoline CAS Name: 3-[(3,4-diethoxyphenyl)-(1-piperazinyl)methyl]quinoline IUPAC Name: 3-[(3,4-diethoxyphenyl)-piperazin-1-ylmethyl]quinoline Traditional Name: 3-[(3,4-diethoxyphenyl)-piperazino-methyl]quinoline Formula: C24H29N3O2 MolecularWeight: 391.50596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCNCC4)OCC

InChI

InChI=1S/C24H29N3O2/c1-3-28-22-10-9-19(16-23(22)29-4-2)24(27-13-11-25-12-14-27)20-15-18-7-5-6-8-21(18)26-17-20/h5-10,15-17,24-25H,3-4,11-14H2,1-2H3