4-[7-(3-oxidanylidenepiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide

Systemtic Name: 4-[7-(3-oxidanylidenepiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide Openeye Name: 4-[7-(3-oxopiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide CAS Name: 4-[7-(3-oxo-1-piperazinyl)-4-quinazolinyl]-N-[4-(1-pyrrolidinyl)phenyl]-1-piperidinecarboxamide IUPAC Name: 4-[7-(3-oxopiperazin-1-yl)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide Traditional Name: 4-[7-(3-ketopiperazino)quinazolin-4-yl]-N-(4-pyrrolidinophenyl)piperidine-1-carboxamide Formula: C28H33N7O2 MolecularWeight: 499.60732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)N3CCC(CC3)C4=NC=NC5=C4C=CC(=C5)N6CCNC(=O)C6

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)N3CCC(CC3)C4=NC=NC5=C4C=CC(=C5)N6CCNC(=O)C6

InChI

InChI=1S/C28H33N7O2/c36-26-18-35(16-11-29-26)23-7-8-24-25(17-23)30-19-31-27(24)20-9-14-34(15-10-20)28(37)32-21-3-5-22(6-4-21)33-12-1-2-13-33/h3-8,17,19-20H,1-2,9-16,18H2,(H,29,36)(H,32,37)