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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-isocyano-4-[2-(methoxymethyl)pyrrolidin-1-yl]phthalazin-1-amine Openeye Name: N-[(3-chloro-4-methoxy-phenyl)methyl]-7-isocyano-4-[2-(methoxymethyl)pyrrolidin-1-yl]phthalazin-1-amine CAS Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-[2-(methoxymethyl)-1-pyrrolidinyl]-1-phthalazinamine IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-7-isocyano-4-[2-(methoxymethyl)pyrrolidin-1-yl]phthalazin-1-amine Traditional Name: (3-chloro-4-methoxy-benzyl)-[7-isocyano-4-[2-(methoxymethyl)pyrrolidino]phthalazin-1-yl]amine Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

COCC1CCCN1C2=NN=C(C3=C2C=CC(=C3)[N+]#[C-])NCC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H24ClN5O2/c1-25-16-7-8-18-19(12-16)22(26-13-15-6-9-21(31-3)20(24)11-15)27-28-23(18)29-10-4-5-17(29)14-30-2/h6-9,11-12,17H,4-5,10,13-14H2,2-3H3,(H,26,27)