6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-quinazoline

Systemtic Name: 6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-quinazoline Openeye Name: 6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-quinazoline CAS Name: 6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methylquinazoline IUPAC Name: 6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methylquinazoline Traditional Name: 6-ethoxy-2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1,4-diazepan-1-yl]-4-methyl-quinazoline Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=CC5=C(C(=C4)OC)OCO5

InChI

InChI=1S/C25H30N4O4/c1-4-31-19-6-7-21-20(14-19)17(2)26-25(27-21)29-9-5-8-28(10-11-29)15-18-12-22(30-3)24-23(13-18)32-16-33-24/h6-7,12-14H,4-5,8-11,15-16H2,1-3H3