N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-piperidin-1-yl-propanamide

Systemtic Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]-3-piperidin-1-yl-propanamide Openeye Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-(1-piperidyl)propanamide CAS Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]-3-(1-piperidinyl)propanamide IUPAC Name: N-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-3-piperidin-1-ylpropanamide Traditional Name: N-[[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-3-piperidino-propionamide Formula: C21H27IN4O MolecularWeight: 478.36975

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)CCN3CCCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)CCN3CCCCC3

InChI

InChI=1S/C21H27IN4O/c1-16-14-18(17(2)26(16)20-8-6-19(22)7-9-20)15-23-24-21(27)10-13-25-11-4-3-5-12-25/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,24,27)