tert-butyl 5-cyano-8-naphthalen-2-yl-2-oxidanylidene-6-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-8-naphthalen-2-yl-2-oxidanylidene-6-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-1-carboxylate Openeye Name: tert-butyl 5-cyano-8-(2-naphthyl)-2-oxo-6-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-1-carboxylate CAS Name: 5-cyano-8-(2-naphthalenyl)-2-oxo-6-(4-phenyl-1-piperazinyl)-3,4-dihydroquinazoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyano-8-naphthalen-2-yl-2-oxo-6-(4-phenylpiperazin-1-yl)-3,4-dihydroquinazoline-1-carboxylate Traditional Name: 5-cyano-2-keto-8-(2-naphthyl)-6-(4-phenylpiperazino)-3,4-dihydroquinazoline-1-carboxylic acid tert-butyl ester Formula: C34H33N5O3 MolecularWeight: 559.65752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(CNC1=O)C(=C(C=C2C3=CC4=CC=CC=C4C=C3)N5CCN(CC5)C6=CC=CC=C6)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(CNC1=O)C(=C(C=C2C3=CC4=CC=CC=C4C=C3)N5CCN(CC5)C6=CC=CC=C6)C#N

InChI

InChI=1S/C34H33N5O3/c1-34(2,3)42-33(41)39-31-27(25-14-13-23-9-7-8-10-24(23)19-25)20-30(28(21-35)29(31)22-36-32(39)40)38-17-15-37(16-18-38)26-11-5-4-6-12-26/h4-14,19-20H,15-18,22H2,1-3H3,(H,36,40)