N-[[4-[bis(azanyl)methylideneamino]cyclohexyl]-phenyl-methyl]-2-methoxy-benzamide; pyrrolidine-1-carbonitrile

Systemtic Name: N-[[4-[bis(azanyl)methylideneamino]cyclohexyl]-phenyl-methyl]-2-methoxy-benzamide; pyrrolidine-1-carbonitrile Openeye Name: N-[(4-guanidinocyclohexyl)-phenyl-methyl]-2-methoxy-benzamide; pyrrolidine-1-carbonitrile CAS Name: N-[[4-(diaminomethylideneamino)cyclohexyl]-phenylmethyl]-2-methoxybenzamide; 1-pyrrolidinecarbonitrile IUPAC Name: N-[[4-(diaminomethylideneamino)cyclohexyl]-phenylmethyl]-2-methoxybenzamide; pyrrolidine-1-carbonitrile Traditional Name: N-[(4-guanidinocyclohexyl)-phenyl-methyl]-2-methoxy-benzamide; pyrrolidine-1-carbonitrile Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(C2CCC(CC2)N=C(N)N)C3=CC=CC=C3.C1CCN(C1)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(C2CCC(CC2)N=C(N)N)C3=CC=CC=C3.C1CCN(C1)C#N

InChI

InChI=1S/C22H28N4O2.C5H8N2/c1-28-19-10-6-5-9-18(19)21(27)26-20(15-7-3-2-4-8-15)16-11-13-17(14-12-16)25-22(23)24;6-5-7-3-1-2-4-7/h2-10,16-17,20H,11-14H2,1H3,(H,26,27)(H4,23,24,25);1-4H2