2-[[3-azanyl-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-cyclohexyl-propanamide

Systemtic Name: 2-[[3-azanyl-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-cyclohexyl-propanamide Openeye Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-cyclohexyl-propanamide CAS Name: 2-[[[3-amino-4-(1,4-diazepan-1-yl)anilino]-oxomethyl]amino]-3-cyclohexylpropanamide IUPAC Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-cyclohexylpropanamide Traditional Name: 2-[[3-amino-4-(1,4-diazepan-1-yl)phenyl]carbamoylamino]-3-cyclohexyl-propionamide Formula: C21H34N6O2 MolecularWeight: 402.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCCNCC3)N

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC(=O)NC2=CC(=C(C=C2)N3CCCNCC3)N

InChI

InChI=1S/C21H34N6O2/c22-17-14-16(7-8-19(17)27-11-4-9-24-10-12-27)25-21(29)26-18(20(23)28)13-15-5-2-1-3-6-15/h7-8,14-15,18,24H,1-6,9-13,22H2,(H2,23,28)(H2,25,26,29)