methyl 4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazoline-7-carboxylate Openeye Name: methyl 4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazoline-7-carboxylate CAS Name: 4-[4-[oxo-(4-phenoxyanilino)methyl]-1-piperazinyl]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-phenoxyphenyl)carbamoyl]piperazin-1-yl]quinazoline-7-carboxylate Traditional Name: 4-[4-[(4-phenoxyphenyl)carbamoyl]piperazino]quinazoline-7-carboxylic acid methyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O4/c1-35-26(33)19-7-12-23-24(17-19)28-18-29-25(23)31-13-15-32(16-14-31)27(34)30-20-8-10-22(11-9-20)36-21-5-3-2-4-6-21/h2-12,17-18H,13-16H2,1H3,(H,30,34)