9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N,5-dimethyl-acridine-4-carboxamide

Systemtic Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N,5-dimethyl-acridine-4-carboxamide Openeye Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N,5-dimethyl-acridine-4-carboxamide CAS Name: 9-[[[4-[bis(2-chloroethyl)amino]anilino]-oxomethyl]amino]-N,5-dimethyl-4-acridinecarboxamide IUPAC Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N,5-dimethylacridine-4-carboxamide Traditional Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-N,5-dimethyl-acridine-4-carboxamide Formula: C27H27Cl2N5O2 MolecularWeight: 524.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NC)N=C12)NC(=O)NC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NC)N=C12)NC(=O)NC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C27H27Cl2N5O2/c1-17-5-3-6-20-23(17)32-25-21(7-4-8-22(25)26(35)30-2)24(20)33-27(36)31-18-9-11-19(12-10-18)34(15-13-28)16-14-29/h3-12H,13-16H2,1-2H3,(H,30,35)(H2,31,32,33,36)