3-[3-[(3S)-3-naphthalen-2-ylcarbonylpiperidin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[(3S)-3-naphthalen-2-ylcarbonylpiperidin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[(3S)-3-(naphthalene-2-carbonyl)-1-piperidyl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[(3S)-3-[2-naphthalenyl(oxo)methyl]-1-piperidinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[(3S)-3-(naphthalene-2-carbonyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[(3S)-3-(2-naphthoyl)piperidino]propyl]quinazolin-4-one Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H25N3O3/c31-25(13-15-30-18-28-24-10-4-3-9-23(24)27(30)33)29-14-5-8-22(17-29)26(32)21-12-11-19-6-1-2-7-20(19)16-21/h1-4,6-7,9-12,16,18,22H,5,8,13-15,17H2/t22-/m0/s1