4-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)quinazoline

Systemtic Name: 4-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)quinazoline Openeye Name: 4-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)quinazoline CAS Name: 4-(1-azepanyl)-2-(3,4-dimethoxyphenyl)quinazoline IUPAC Name: 4-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)quinazoline Traditional Name: 4-(azepan-1-yl)-2-(3,4-dimethoxyphenyl)quinazoline Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N4CCCCCC4)OC

InChI

InChI=1S/C22H25N3O2/c1-26-19-12-11-16(15-20(19)27-2)21-23-18-10-6-5-9-17(18)22(24-21)25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3