4-chloranyl-N-[4-[4-[(4-oxidanylbutylamino)methyl]phenyl]cyclohexyl]-N-prop-2-ynyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-[4-[(4-oxidanylbutylamino)methyl]phenyl]cyclohexyl]-N-prop-2-ynyl-benzamide Openeye Name: 4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-prop-2-ynyl-benzamide CAS Name: 4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-prop-2-ynylbenzamide IUPAC Name: 4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-prop-2-ynylbenzamide Traditional Name: 4-chloro-N-[4-[4-[(4-hydroxybutylamino)methyl]phenyl]cyclohexyl]-N-propargyl-benzamide Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN(C1CCC(CC1)C2=CC=C(C=C2)CNCCCCO)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C#CCN(C1CCC(CC1)C2=CC=C(C=C2)CNCCCCO)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H33ClN2O2/c1-2-18-30(27(32)24-9-13-25(28)14-10-24)26-15-11-23(12-16-26)22-7-5-21(6-8-22)20-29-17-3-4-19-31/h1,5-10,13-14,23,26,29,31H,3-4,11-12,15-20H2