4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxyquinazoline Traditional Name: 2-(3,4-dimethoxyphenyl)-7-ethoxy-6-methoxy-4-(4-piperonylpiperazino)quinazoline Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=C(N=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC(=C(C=C6)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=C(N=C2N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC(=C(C=C6)OC)OC)OC

InChI

InChI=1S/C31H34N4O6/c1-5-39-29-17-23-22(16-27(29)38-4)31(33-30(32-23)21-7-9-24(36-2)26(15-21)37-3)35-12-10-34(11-13-35)18-20-6-8-25-28(14-20)41-19-40-25/h6-9,14-17H,5,10-13,18-19H2,1-4H3