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

Systemtic Name: 2-[[2-[(3R)-3-azanylpiperidin-1-yl]-6-methoxy-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(3R)-3-amino-1-piperidyl]-6-methoxy-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 2-[[2-[(3R)-3-amino-1-piperidinyl]-6-methoxy-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(3R)-3-aminopiperidino]-4-keto-6-methoxy-quinazolin-3-yl]methyl]benzonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCC(C4)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCC[C@H](C4)N

InChI

InChI=1S/C22H23N5O2/c1-29-18-8-9-20-19(11-18)21(28)27(13-16-6-3-2-5-15(16)12-23)22(25-20)26-10-4-7-17(24)14-26/h2-3,5-6,8-9,11,17H,4,7,10,13-14,24H2,1H3/t17-/m1/s1