N-(3-azanylpropyl)-N-[1-[7-chloranyl-3-[(3-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]-2-(dimethylamino)-2-oxidanylidene-ethyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-3-[(3-fluorophenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]-2-(dimethylamino)-2-oxidanylidene-ethyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-fluorophenyl)methyl]-4-oxo-quinazolin-2-yl]-2-(dimethylamino)-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-fluorophenyl)methyl]-4-oxo-2-quinazolinyl]-2-(dimethylamino)-2-oxoethyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-[7-chloro-3-[(3-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]-2-(dimethylamino)-2-oxoethyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-[7-chloro-3-(3-fluorobenzyl)-4-keto-quinazolin-2-yl]-2-(dimethylamino)-2-keto-ethyl]-4-methyl-benzamide Formula: C30H31ClFN5O3 MolecularWeight: 564.050243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC(=CC=C4)F)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC(=CC=C4)F)C(=O)N(C)C

InChI

InChI=1S/C30H31ClFN5O3/c1-19-8-10-21(11-9-19)28(38)36(15-5-14-33)26(30(40)35(2)3)27-34-25-17-22(31)12-13-24(25)29(39)37(27)18-20-6-4-7-23(32)16-20/h4,6-13,16-17,26H,5,14-15,18,33H2,1-3H3