N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]butyl]acridin-9-amine

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]butyl]acridin-9-amine Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]butyl]acridin-9-amine CAS Name: N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]butyl]-9-acridinamine IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]butyl]acridin-9-amine Traditional Name: [4-[4-(acridin-9-ylamino)butoxy]phenyl]-bis(2-chloroethyl)amine Formula: C27H29Cl2N3O MolecularWeight: 482.44466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCOC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCOC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C27H29Cl2N3O/c28-15-18-32(19-16-29)21-11-13-22(14-12-21)33-20-6-5-17-30-27-23-7-1-3-9-25(23)31-26-10-4-2-8-24(26)27/h1-4,7-14H,5-6,15-20H2,(H,30,31)