3-(5-chloranylpyridin-2-yl)-2-[4-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]phenyl]quinazolin-4-one

Systemtic Name: 3-(5-chloranylpyridin-2-yl)-2-[4-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]phenyl]quinazolin-4-one Openeye Name: 3-(5-chloro-2-pyridyl)-2-[4-[1-(3-pyridylmethyl)pyrrol-2-yl]phenyl]quinazolin-4-one CAS Name: 3-(5-chloro-2-pyridinyl)-2-[4-[1-(3-pyridinylmethyl)-2-pyrrolyl]phenyl]-4-quinazolinone IUPAC Name: 3-(5-chloropyridin-2-yl)-2-[4-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]phenyl]quinazolin-4-one Traditional Name: 3-(5-chloro-2-pyridyl)-2-[4-[1-(3-pyridylmethyl)pyrrol-2-yl]phenyl]quinazolin-4-one Formula: C29H20ClN5O MolecularWeight: 489.955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CN4CC5=CN=CC=C5)C6=NC=C(C=C6)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)C4=CC=CN4CC5=CN=CC=C5)C6=NC=C(C=C6)Cl

InChI

InChI=1S/C29H20ClN5O/c30-23-13-14-27(32-18-23)35-28(33-25-7-2-1-6-24(25)29(35)36)22-11-9-21(10-12-22)26-8-4-16-34(26)19-20-5-3-15-31-17-20/h1-18H,19H2