3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile

Systemtic Name: 3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile Openeye Name: 3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile CAS Name: 3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile IUPAC Name: 3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile Traditional Name: 3-[(1S,2R)-2-[2-(4-methoxyphenyl)ethylamino]cyclopropyl]-1H-indole-5-carbonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2CC2C3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CCN[C@@H]2C[C@H]2C3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C21H21N3O/c1-25-16-5-2-14(3-6-16)8-9-23-21-11-18(21)19-13-24-20-7-4-15(12-22)10-17(19)20/h2-7,10,13,18,21,23-24H,8-9,11H2,1H3/t18-,21+/m0/s1