(5R)-1-[(3-chlorophenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-yl)azepan-2-one

Systemtic Name: (5R)-1-[(3-chlorophenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-yl)azepan-2-one Openeye Name: (5R)-1-[(3-chlorophenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-yl)azepan-2-one CAS Name: (5R)-1-[(3-chlorophenyl)methyl]-5-[4-(4-quinazolinyl)-1-piperazinyl]-2-azepanone IUPAC Name: (5R)-1-[(3-chlorophenyl)methyl]-5-(4-quinazolin-4-ylpiperazin-1-yl)azepan-2-one Traditional Name: (5R)-1-(3-chlorobenzyl)-5-(4-quinazolin-4-ylpiperazino)azepan-2-one Formula: C25H28ClN5O MolecularWeight: 449.97572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1N2CCN(CC2)C3=NC=NC4=CC=CC=C43)CC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CC(=O)N(CC[C@@H]1N2CCN(CC2)C3=NC=NC4=CC=CC=C43)CC5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H28ClN5O/c26-20-5-3-4-19(16-20)17-31-11-10-21(8-9-24(31)32)29-12-14-30(15-13-29)25-22-6-1-2-7-23(22)27-18-28-25/h1-7,16,18,21H,8-15,17H2/t21-/m1/s1