methyl 4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[(4-aminoquinazolin-2-yl)methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H23N5O3/c1-30-22(29)16-8-6-15(7-9-16)21(28)27-12-10-26(11-13-27)14-19-24-18-5-3-2-4-17(18)20(23)25-19/h2-9H,10-14H2,1H3,(H2,23,24,25)