7-chloranyl-2-[[ethyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azaniumyl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[ethyl-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azaniumyl]methyl]quinazolin-4-olate Openeye Name: 2-[[[2-(benzylamino)-2-oxo-ethyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate CAS Name: 7-chloro-2-[[ethyl-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonio]methyl]-4-quinazolinolate IUPAC Name: 2-[[[2-(benzylamino)-2-oxoethyl]-ethylazaniumyl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[[2-(benzylamino)-2-keto-ethyl]-ethyl-ammonio]methyl]-7-chloro-quinazolin-4-olate Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=NC2=C(C=CC(=C2)Cl)C(=N1)[O-])CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O2/c1-2-25(13-19(26)22-11-14-6-4-3-5-7-14)12-18-23-17-10-15(21)8-9-16(17)20(27)24-18/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24,27)