2-methyl-2-(4-phenylmethoxyphenyl)-3-[(phenylmethyl)amino]oxane-3-carbonitrile

Systemtic Name: 2-methyl-2-(4-phenylmethoxyphenyl)-3-[(phenylmethyl)amino]oxane-3-carbonitrile Openeye Name: 3-(benzylamino)-2-(4-benzyloxyphenyl)-2-methyl-tetrahydropyran-3-carbonitrile CAS Name: 2-methyl-2-(4-phenylmethoxyphenyl)-3-[(phenylmethyl)amino]-3-oxanecarbonitrile IUPAC Name: 3-(benzylamino)-2-methyl-2-(4-phenylmethoxyphenyl)oxane-3-carbonitrile Traditional Name: 2-(4-benzoxyphenyl)-3-(benzylamino)-2-methyl-tetrahydropyran-3-carbonitrile Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCO1)(C#N)NCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1(C(CCCO1)(C#N)NCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2/c1-26(24-13-15-25(16-14-24)30-20-23-11-6-3-7-12-23)27(21-28,17-8-18-31-26)29-19-22-9-4-2-5-10-22/h2-7,9-16,29H,8,17-20H2,1H3