4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride

Systemtic Name: 4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride Openeye Name: 4-[bis(2-chloroethyl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide hydrochloride CAS Name: 4-[bis(2-chloroethyl)amino]-N-[4-(4-quinolinylamino)phenyl]benzamide hydrochloride IUPAC Name: 4-[bis(2-chloroethyl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide hydrochloride Traditional Name: 4-[bis(2-chloroethyl)amino]-N-[4-(4-quinolylamino)phenyl]benzamide hydrochloride Formula: C26H25Cl3N4O MolecularWeight: 515.8619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)N(CCCl)CCCl.Cl

InChI

InChI=1S/C26H24Cl2N4O.ClH/c27-14-17-32(18-15-28)22-11-5-19(6-12-22)26(33)31-21-9-7-20(8-10-21)30-25-13-16-29-24-4-2-1-3-23(24)25;/h1-13,16H,14-15,17-18H2,(H,29,30)(H,31,33);1H