1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]piperidine-4-carboxamide Openeye Name: 1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(3S)-2-oxoazepan-3-yl]piperidine-4-carboxamide CAS Name: 1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[(3S)-2-oxo-3-azepanyl]-4-piperidinecarboxamide IUPAC Name: 1-(6-ethoxy-4-methylquinazolin-2-yl)-N-[(3S)-2-oxoazepan-3-yl]piperidine-4-carboxamide Traditional Name: 1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[(3S)-2-ketoazepan-3-yl]isonipecotamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC(CC3)C(=O)N[C@H]4CCCCNC4=O

InChI

InChI=1S/C23H31N5O3/c1-3-31-17-7-8-19-18(14-17)15(2)25-23(27-19)28-12-9-16(10-13-28)21(29)26-20-6-4-5-11-24-22(20)30/h7-8,14,16,20H,3-6,9-13H2,1-2H3,(H,24,30)(H,26,29)/t20-/m0/s1