4-[(3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-3-yl]carbonylpiperazin-2-one

Systemtic Name: 4-[(3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidin-3-yl]carbonylpiperazin-2-one Openeye Name: 4-[(3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)piperidine-3-carbonyl]piperazin-2-one CAS Name: 4-[[(3S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-3-piperidinyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[(3S)-1-(6-ethoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperazin-2-one Traditional Name: 4-[(3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)nipecotoyl]piperazin-2-one Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(C3)C(=O)N4CCNC(=O)C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](C3)C(=O)N4CCNC(=O)C4

InChI

InChI=1S/C21H27N5O3/c1-3-29-16-6-7-18-17(11-16)14(2)23-21(24-18)26-9-4-5-15(12-26)20(28)25-10-8-22-19(27)13-25/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3,(H,22,27)/t15-/m0/s1