2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6,7-dimethoxy-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6,7-dimethoxy-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6,7-dimethoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-4-keto-6,7-dimethoxy-quinazolin-3-yl]methyl]benzonitrile Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)N3CCC[C@H](C3)N)CC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C23H25N5O3/c1-30-20-10-18-19(11-21(20)31-2)26-23(27-9-5-8-17(25)14-27)28(22(18)29)13-16-7-4-3-6-15(16)12-24/h3-4,6-7,10-11,17H,5,8-9,13-14,25H2,1-2H3/t17-/m1/s1