methyl 1-[1-(4-oxidanylidenequinazolin-3-yl)propyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: methyl 1-[1-(4-oxidanylidenequinazolin-3-yl)propyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-[1-(4-oxoquinazolin-3-yl)propyl]-4-(N-propanoylanilino)piperidine-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-[1-(4-oxo-3-quinazolinyl)propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-oxoquinazolin-3-yl)propyl]-4-(N-propanoylanilino)piperidine-4-carboxylate Traditional Name: 1-[1-(4-ketoquinazolin-3-yl)propyl]-4-(N-propionylanilino)isonipecotic acid methyl ester Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1CCC(CC1)(C(=O)OC)N(C2=CC=CC=C2)C(=O)CC)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CCC(N1CCC(CC1)(C(=O)OC)N(C2=CC=CC=C2)C(=O)CC)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C27H32N4O4/c1-4-23(30-19-28-22-14-10-9-13-21(22)25(30)33)29-17-15-27(16-18-29,26(34)35-3)31(24(32)5-2)20-11-7-6-8-12-20/h6-14,19,23H,4-5,15-18H2,1-3H3