2-chloranyl-N-[4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]pyridine-4-carboxamide

Systemtic Name: 2-chloranyl-N-[4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]pyridine-4-carboxamide Openeye Name: 2-chloro-N-[4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-4-oxo-quinazolin-3-yl]phenyl]pyridine-4-carboxamide CAS Name: 2-chloro-N-[4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-4-oxo-3-quinazolinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-methyl-3-[6-(4-methyl-1,4-diazepan-1-yl)-4-oxoquinazolin-3-yl]phenyl]pyridine-4-carboxamide Traditional Name: 2-chloro-N-[3-[4-keto-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-3-yl]-4-methyl-phenyl]isonicotinamide Formula: C27H27ClN6O2 MolecularWeight: 502.99528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)Cl)N3C=NC4=C(C3=O)C=C(C=C4)N5CCCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)Cl)N3C=NC4=C(C3=O)C=C(C=C4)N5CCCN(CC5)C

InChI

InChI=1S/C27H27ClN6O2/c1-18-4-5-20(31-26(35)19-8-9-29-25(28)14-19)15-24(18)34-17-30-23-7-6-21(16-22(23)27(34)36)33-11-3-10-32(2)12-13-33/h4-9,14-17H,3,10-13H2,1-2H3,(H,31,35)