2-[4-[bis(2-chloroethyl)amino]phenyl]carbonyl-1H-isoquinoline-1-carbonitrile

Systemtic Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]carbonyl-1H-isoquinoline-1-carbonitrile Openeye Name: 2-[4-[bis(2-chloroethyl)amino]benzoyl]-1H-isoquinoline-1-carbonitrile CAS Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]-oxomethyl]-1H-isoquinoline-1-carbonitrile IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]benzoyl]-1H-isoquinoline-1-carbonitrile Traditional Name: 2-[4-[bis(2-chloroethyl)amino]benzoyl]-1H-isoquinoline-1-carbonitrile Formula: C21H19Cl2N3O MolecularWeight: 400.30106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)N(CCCl)CCCl)C#N

Isomeric SMILES

C1=CC=C2C(N(C=CC2=C1)C(=O)C3=CC=C(C=C3)N(CCCl)CCCl)C#N

InChI

InChI=1S/C21H19Cl2N3O/c22-10-13-25(14-11-23)18-7-5-17(6-8-18)21(27)26-12-9-16-3-1-2-4-19(16)20(26)15-24/h1-9,12,20H,10-11,13-14H2