4-(4-azanyl-5-methoxy-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-azanyl-5-methoxy-spiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonylbenzenecarbonitrile Openeye Name: 4-(4-amino-5-methoxy-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile CAS Name: 4-[(4-amino-5-methoxy-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-oxomethyl]benzonitrile IUPAC Name: 4-(4-amino-5-methoxyspiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile Traditional Name: 4-(4-amino-5-methoxy-spiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzonitrile Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=NC3(N2)CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

Isomeric SMILES

COC1=CC=CC2=C1C(=NC3(N2)CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)N

InChI

InChI=1S/C21H21N5O2/c1-28-17-4-2-3-16-18(17)19(23)25-21(24-16)9-11-26(12-10-21)20(27)15-7-5-14(13-22)6-8-15/h2-8,24H,9-12H2,1H3,(H2,23,25)