7-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-phenyl-1H-quinazoline-2,4-dione

Systemtic Name: 7-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]carbonyl]-3-phenyl-1H-quinazoline-2,4-dione Openeye Name: 7-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-phenyl-1H-quinazoline-2,4-dione CAS Name: 7-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]-3-phenyl-1H-quinazoline-2,4-dione IUPAC Name: 7-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-phenyl-1H-quinazoline-2,4-dione Traditional Name: 7-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-3-phenyl-1H-quinazoline-2,4-quinone Formula: C27H25FN4O3 MolecularWeight: 472.510803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)C4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=O)N3)C4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O3/c28-21-10-7-19(8-11-21)18-30-13-4-14-31(16-15-30)25(33)20-9-12-23-24(17-20)29-27(35)32(26(23)34)22-5-2-1-3-6-22/h1-3,5-12,17H,4,13-16,18H2,(H,29,35)