N-[(3-chloranyl-4-methyl-phenyl)methyl]-4-(2-ethylpyrrolidin-1-yl)-7-isocyano-phthalazin-1-amine

Systemtic Name: N-[(3-chloranyl-4-methyl-phenyl)methyl]-4-(2-ethylpyrrolidin-1-yl)-7-isocyano-phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methyl-phenyl)methyl]-4-(2-ethylpyrrolidin-1-yl)-7-isocyano-phthalazin-1-amine CAS Name: N-[(3-chloro-4-methylphenyl)methyl]-4-(2-ethyl-1-pyrrolidinyl)-7-isocyano-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methylphenyl)methyl]-4-(2-ethylpyrrolidin-1-yl)-7-isocyanophthalazin-1-amine Traditional Name: (3-chloro-4-methyl-benzyl)-[4-(2-ethylpyrrolidino)-7-isocyano-phthalazin-1-yl]amine Formula: C23H24ClN5 MolecularWeight: 405.92316

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN1C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CCC1CCCN1C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C23H24ClN5/c1-4-18-6-5-11-29(18)23-19-10-9-17(25-3)13-20(19)22(27-28-23)26-14-16-8-7-15(2)21(24)12-16/h7-10,12-13,18H,4-6,11,14H2,1-2H3,(H,26,27)