N-[2-(3-chlorophenyl)-4-oxidanylidene-6-[(3R)-3-propan-2-yl-1,4-diazepan-1-yl]quinazolin-3-yl]-N-propan-2-yl-ethanamide

Systemtic Name: N-[2-(3-chlorophenyl)-4-oxidanylidene-6-[(3R)-3-propan-2-yl-1,4-diazepan-1-yl]quinazolin-3-yl]-N-propan-2-yl-ethanamide Openeye Name: N-[2-(3-chlorophenyl)-6-[(3R)-3-isopropyl-1,4-diazepan-1-yl]-4-oxo-quinazolin-3-yl]-N-isopropyl-acetamide CAS Name: N-[2-(3-chlorophenyl)-4-oxo-6-[(3R)-3-propan-2-yl-1,4-diazepan-1-yl]-3-quinazolinyl]-N-propan-2-ylacetamide IUPAC Name: N-[2-(3-chlorophenyl)-4-oxo-6-[(3R)-3-propan-2-yl-1,4-diazepan-1-yl]quinazolin-3-yl]-N-propan-2-ylacetamide Traditional Name: N-[2-(3-chlorophenyl)-6-[(3R)-3-isopropyl-1,4-diazepan-1-yl]-4-keto-quinazolin-3-yl]-N-isopropyl-acetamide Formula: C27H34ClN5O2 MolecularWeight: 496.04416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCCN1)C2=CC3=C(C=C2)N=C(N(C3=O)N(C(C)C)C(=O)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)[C@@H]1CN(CCCN1)C2=CC3=C(C=C2)N=C(N(C3=O)N(C(C)C)C(=O)C)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H34ClN5O2/c1-17(2)25-16-31(13-7-12-29-25)22-10-11-24-23(15-22)27(35)33(32(18(3)4)19(5)34)26(30-24)20-8-6-9-21(28)14-20/h6,8-11,14-15,17-18,25,29H,7,12-13,16H2,1-5H3/t25-/m0/s1