4-[[(3S,4R)-1-[(Z)-but-2-enyl]-3-methyl-piperidin-4-yl]-phenyl-amino]-N,N-diethyl-benzamide

Systemtic Name: 4-[[(3S,4R)-1-[(Z)-but-2-enyl]-3-methyl-piperidin-4-yl]-phenyl-amino]-N,N-diethyl-benzamide Openeye Name: 4-(N-[(3S,4R)-1-[(Z)-but-2-enyl]-3-methyl-4-piperidyl]anilino)-N,N-diethyl-benzamide CAS Name: 4-(N-[(3S,4R)-1-[(Z)-but-2-enyl]-3-methyl-4-piperidinyl]anilino)-N,N-diethylbenzamide IUPAC Name: 4-(N-[(3S,4R)-1-[(Z)-but-2-enyl]-3-methylpiperidin-4-yl]anilino)-N,N-diethylbenzamide Traditional Name: 4-(N-[(3S,4R)-1-[(Z)-but-2-enyl]-3-methyl-4-piperidyl]anilino)-N,N-diethyl-benzamide Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CCN(CC2C)CC=CC)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)N([C@@H]2CCN(C[C@@H]2C)C/C=C\C)C3=CC=CC=C3

InChI

InChI=1S/C27H37N3O/c1-5-8-19-28-20-18-26(22(4)21-28)30(24-12-10-9-11-13-24)25-16-14-23(15-17-25)27(31)29(6-2)7-3/h5,8-17,22,26H,6-7,18-21H2,1-4H3/b8-5-/t22-,26+/m0/s1