N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-bromanyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-bromanyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-bromo-1H-pyrrole-2-carboxamide CAS Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-bromo-1H-pyrrole-2-carboxamide IUPAC Name: N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-bromo-1H-pyrrole-2-carboxamide Traditional Name: N-[(Z)-[2-(1-adamantyl)-1-methyl-ethylidene]amino]-4-bromo-1H-pyrrole-2-carboxamide Formula: C18H24BrN3O MolecularWeight: 378.30666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=CN1)Br)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC(=CN1)Br)/CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H24BrN3O/c1-11(21-22-17(23)16-5-15(19)10-20-16)6-18-7-12-2-13(8-18)4-14(3-12)9-18/h5,10,12-14,20H,2-4,6-9H2,1H3,(H,22,23)/b21-11-