methyl 4-(4-azanylspiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonylbenzoate

Systemtic Name: methyl 4-(4-azanylspiro[1H-quinazoline-2,4'-piperidine]-1'-yl)carbonylbenzoate Openeye Name: methyl 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoate CAS Name: 4-[(4-amino-1'-spiro[1H-quinazoline-2,4'-piperidine]yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoate Traditional Name: 4-(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-carbonyl)benzoic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H22N4O3/c1-28-20(27)15-8-6-14(7-9-15)19(26)25-12-10-21(11-13-25)23-17-5-3-2-4-16(17)18(22)24-21/h2-9,23H,10-13H2,1H3,(H2,22,24)