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

Systemtic Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]-6-ethoxy-4-methyl-quinazoline Openeye Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]-6-ethoxy-4-methyl-quinazoline CAS Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]-6-ethoxy-4-methylquinazoline IUPAC Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]-6-ethoxy-4-methylquinazoline Traditional Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1,4-diazepan-1-yl]-6-ethoxy-4-methyl-quinazoline Formula: C24H28N4O3 MolecularWeight: 420.50412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=C5C(=CC=C4)OCO5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCN(CC3)CC4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C24H28N4O3/c1-3-29-19-8-9-21-20(14-19)17(2)25-24(26-21)28-11-5-10-27(12-13-28)15-18-6-4-7-22-23(18)31-16-30-22/h4,6-9,14H,3,5,10-13,15-16H2,1-2H3