2-chloranyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]benzamide

Systemtic Name: 2-chloranyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]benzamide Openeye Name: 2-chloro-N-isopentyl-N-[1-[3-(m-tolyl)-4-oxo-quinazolin-2-yl]ethyl]benzamide CAS Name: 2-chloro-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxo-2-quinazolinyl]ethyl]benzamide IUPAC Name: 2-chloro-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide Traditional Name: 2-chloro-N-isoamyl-N-[1-[4-keto-3-(m-tolyl)quinazolin-2-yl]ethyl]benzamide Formula: C29H30ClN3O2 MolecularWeight: 488.0204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC(C)C)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C29H30ClN3O2/c1-19(2)16-17-32(28(34)23-12-5-7-14-25(23)30)21(4)27-31-26-15-8-6-13-24(26)29(35)33(27)22-11-9-10-20(3)18-22/h5-15,18-19,21H,16-17H2,1-4H3