3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-2-methylquinazolin-4-one Traditional Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-2-methyl-quinazolin-4-one Formula: C21H23Cl2N3O2 MolecularWeight: 420.33222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)CN(CCCl)CCCl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)CN(CCCl)CCCl

InChI

InChI=1S/C21H23Cl2N3O2/c1-15-24-19-6-4-3-5-18(19)21(27)26(15)17-7-8-20(28-2)16(13-17)14-25(11-9-22)12-10-23/h3-8,13H,9-12,14H2,1-2H3