2-[5-(2-azanylethyl)-6-oxidanylidene-1-(phenylmethyl)piperidin-2-yl]-7-chloranyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[5-(2-azanylethyl)-6-oxidanylidene-1-(phenylmethyl)piperidin-2-yl]-7-chloranyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 2-[5-(2-aminoethyl)-1-benzyl-6-oxo-2-piperidyl]-3-benzyl-7-chloro-quinazolin-4-one CAS Name: 2-[5-(2-aminoethyl)-6-oxo-1-(phenylmethyl)-2-piperidinyl]-7-chloro-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 2-[5-(2-aminoethyl)-1-benzyl-6-oxopiperidin-2-yl]-3-benzyl-7-chloroquinazolin-4-one Traditional Name: 2-[5-(2-aminoethyl)-1-benzyl-6-keto-2-piperidyl]-3-benzyl-7-chloro-quinazolin-4-one Formula: C29H29ClN4O2 MolecularWeight: 501.01916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(=O)C1CCN)CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CC(N(C(=O)C1CCN)CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4O2/c30-23-12-13-24-25(17-23)32-27(34(29(24)36)19-21-9-5-2-6-10-21)26-14-11-22(15-16-31)28(35)33(26)18-20-7-3-1-4-8-20/h1-10,12-13,17,22,26H,11,14-16,18-19,31H2