2-[4-[2-(azepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-N-(naphthalen-1-ylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-N-(naphthalen-1-ylmethyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-4-oxo-quinazolin-3-yl]phenyl]-N-(1-naphthylmethyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-4-oxo-3-quinazolinyl]phenyl]-N-(1-naphthalenylmethyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-4-oxoquinazolin-3-yl]phenyl]-N-(naphthalen-1-ylmethyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-4-keto-quinazolin-3-yl]phenyl]-N-(1-naphthylmethyl)acetamide Formula: C33H32N4O2 MolecularWeight: 516.63278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)CC(=O)NCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)CC(=O)NCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H32N4O2/c38-31(34-23-26-12-9-11-25-10-3-4-13-28(25)26)22-24-16-18-27(19-17-24)37-32(39)29-14-5-6-15-30(29)35-33(37)36-20-7-1-2-8-21-36/h3-6,9-19H,1-2,7-8,20-23H2,(H,34,38)