4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyridin-3-yl-quinazoline

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-2-(3-pyridyl)quinazoline Formula: C25H24ClN5 MolecularWeight: 429.94456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H24ClN5/c26-21-10-8-19(9-11-21)18-30-13-4-14-31(16-15-30)25-22-6-1-2-7-23(22)28-24(29-25)20-5-3-12-27-17-20/h1-3,5-12,17H,4,13-16,18H2