2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride

Systemtic Name: 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride Openeye Name: 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride CAS Name: 2-tert-butyl-7-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride IUPAC Name: 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride Traditional Name: 2-tert-butyl-7-[(3S)-3-(dimethylamino)pyrrolidino]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride Formula: C25H31ClN4O MolecularWeight: 438.99284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1C3=CC=CC=C3)N4CCC(C4)N(C)C)OC(=N2)C(C)(C)C)C#N.Cl

Isomeric SMILES

CC1=C(C2=C(C(=C1C3=CC=CC=C3)N4CC[C@@H](C4)N(C)C)OC(=N2)C(C)(C)C)C#N.Cl

InChI

InChI=1S/C25H30N4O.ClH/c1-16-19(14-26)21-23(30-24(27-21)25(2,3)4)22(20(16)17-10-8-7-9-11-17)29-13-12-18(15-29)28(5)6;/h7-11,18H,12-13,15H2,1-6H3;1H/t18-;/m0./s1