3-[1-[2-(azepan-1-yl)-6,7-diethoxy-quinazolin-4-yl]piperidin-4-yl]-1,6-dimethyl-quinazoline-2,4-dione

Systemtic Name: 3-[1-[2-(azepan-1-yl)-6,7-diethoxy-quinazolin-4-yl]piperidin-4-yl]-1,6-dimethyl-quinazoline-2,4-dione Openeye Name: 3-[1-[2-(azepan-1-yl)-6,7-diethoxy-quinazolin-4-yl]-4-piperidyl]-1,6-dimethyl-quinazoline-2,4-dione CAS Name: 3-[1-[2-(1-azepanyl)-6,7-diethoxy-4-quinazolinyl]-4-piperidinyl]-1,6-dimethylquinazoline-2,4-dione IUPAC Name: 3-[1-[2-(azepan-1-yl)-6,7-diethoxyquinazolin-4-yl]piperidin-4-yl]-1,6-dimethylquinazoline-2,4-dione Traditional Name: 3-[1-[2-(azepan-1-yl)-6,7-diethoxy-quinazolin-4-yl]-4-piperidyl]-1,6-dimethyl-quinazoline-2,4-quinone Formula: C33H42N6O4 MolecularWeight: 586.72438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)C)N(C5=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCCCC3)N4CCC(CC4)N5C(=O)C6=C(C=CC(=C6)C)N(C5=O)C)OCC

InChI

InChI=1S/C33H42N6O4/c1-5-42-28-20-24-26(21-29(28)43-6-2)34-32(38-15-9-7-8-10-16-38)35-30(24)37-17-13-23(14-18-37)39-31(40)25-19-22(3)11-12-27(25)36(4)33(39)41/h11-12,19-21,23H,5-10,13-18H2,1-4H3