[1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol

Systemtic Name: [1-[4-[2-(3-chloranyl-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Openeye Name: [1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol CAS Name: [1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyano-1-phthalazinyl]-3-pyrrolidinyl]methanol IUPAC Name: [1-[4-[2-(3-chloro-4-methylphenyl)ethylamino]-6-isocyanophthalazin-1-yl]pyrrolidin-3-yl]methanol Traditional Name: [1-[4-[2-(3-chloro-4-methyl-phenyl)ethylamino]-6-isocyano-phthalazin-1-yl]pyrrolidin-3-yl]methanol Formula: C23H24ClN5O MolecularWeight: 421.92256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCNC2=NN=C(C3=C2C=C(C=C3)[N+]#[C-])N4CCC(C4)CO)Cl

InChI

InChI=1S/C23H24ClN5O/c1-15-3-4-16(11-21(15)24)7-9-26-22-20-12-18(25-2)5-6-19(20)23(28-27-22)29-10-8-17(13-29)14-30/h3-6,11-12,17,30H,7-10,13-14H2,1H3,(H,26,27)