methyl 1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]piperidine-2-carboxylate

Systemtic Name: methyl 1-[[4-(4-ethanoyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]piperidine-2-carboxylate Openeye Name: methyl 1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]piperidine-2-carboxylate CAS Name: 1-[[4-(4-acetyl-1,4-diazepan-1-yl)-2-quinazolinyl]methyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]piperidine-2-carboxylate Traditional Name: 1-[[4-(4-acetyl-1,4-diazepan-1-yl)quinazolin-2-yl]methyl]pipecolinic acid methyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)CN4CCCCC4C(=O)OC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)CN4CCCCC4C(=O)OC

InChI

InChI=1S/C23H31N5O3/c1-17(29)26-12-7-13-27(15-14-26)22-18-8-3-4-9-19(18)24-21(25-22)16-28-11-6-5-10-20(28)23(30)31-2/h3-4,8-9,20H,5-7,10-16H2,1-2H3