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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2C=NC3=CC=CC=C3C2=O)CN(CCCl)CCCl

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2C=NC3=CC=CC=C3C2=O)CN(CCCl)CCCl

InChI

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