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

Systemtic Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-5-methoxy-N-methyl-acridine-4-carboxamide Openeye Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-5-methoxy-N-methyl-acridine-4-carboxamide CAS Name: 9-[[[4-[bis(2-chloroethyl)amino]anilino]-oxomethyl]amino]-5-methoxy-N-methyl-4-acridinecarboxamide IUPAC Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-5-methoxy-N-methylacridine-4-carboxamide Traditional Name: 9-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-5-methoxy-N-methyl-acridine-4-carboxamide Formula: C27H27Cl2N5O3 MolecularWeight: 540.44098

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC2=C1N=C3C(=C2NC(=O)NC4=CC=C(C=C4)N(CCCl)CCCl)C=CC=C3OC

Isomeric SMILES

CNC(=O)C1=CC=CC2=C1N=C3C(=C2NC(=O)NC4=CC=C(C=C4)N(CCCl)CCCl)C=CC=C3OC

InChI

InChI=1S/C27H27Cl2N5O3/c1-30-26(35)21-7-3-5-19-23(20-6-4-8-22(37-2)25(20)32-24(19)21)33-27(36)31-17-9-11-18(12-10-17)34(15-13-28)16-14-29/h3-12H,13-16H2,1-2H3,(H,30,35)(H2,31,32,33,36)